2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone

C130H146N22O14 — CID 162170187

IUPAC2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
SMILESCN1CCN(Cc2ccc(C(=O)N3CCN(c4cnc5c(ccn5Cc5ccc(C(=O)CO)cc5)c4)CC3)cc2)CC1.CN1CCN(Cc2cccc(C(=O)N3CCN(c4cnc5c(ccn5Cc5ccc(C(=O)CO)cc5)c4)CC3)c2)CC1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(C(=O)c5ccc(CN6CCOCC6)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(C(=O)c5cccc(CN6CCOCC6)c5)CC4)cnc32)cc1
InChIInChI=1S/2C33H38N6O3.2C32H35N5O4/c1-35-12-14-36(15-13-35)22-25-4-8-28(9-5-25)33(42)38-18-16-37(17-19-38)30-20-29-10-11-39(32(29)34-21-30)23-26-2-6-27(7-3-26)31(41)24-40;1-35-11-13-36(14-12-35)22-26-3-2-4-29(19-26)33(42)38-17-15-37(16-18-38)30-20-28-9-10-39(32(28)34-21-30)23-25-5-7-27(8-6-25)31(41)24-40;38-23-30(39)26-5-1-25(2-6-26)22-37-10-9-28-19-29(20-33-31(28)37)35-11-13-36(14-12-35)32(40)27-7-3-24(4-8-27)21-34-15-17-41-18-16-34;38-23-30(39)26-6-4-24(5-7-26)22-37-9-8-27-19-29(20-33-31(27)37)35-10-12-36(13-11-35)32(40)28-3-1-2-25(18-28)21-34-14-16-41-17-15-34/h2-11,20-21,40H,12-19,22-24H2,1H3;2-10,19-21,40H,11-18,22-24H2,1H3;1-10,19-20,38H,11-18,21-23H2;1-9,18-20,38H,10-17,21-23H2
InChIKeyZNRLGIQFNYIUGZ-UHFFFAOYSA-N
MW2240.74 g/mol
LogP12.05
Rot. Bonds32

About 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone

2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone (PubChem CID 162170187) has the molecular formula C130H146N22O14 and a molecular weight of 2240.74 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
PubChem CID162170187
Molecular FormulaC130H146N22O14
Molecular Weight2240.74 g/mol
Exact Mass2239.14
IUPAC Name2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
SMILESCN1CCN(Cc2ccc(C(=O)N3CCN(c4cnc5c(ccn5Cc5ccc(C(=O)CO)cc5)c4)CC3)cc2)CC1.CN1CCN(Cc2cccc(C(=O)N3CCN(c4cnc5c(ccn5Cc5ccc(C(=O)CO)cc5)c4)CC3)c2)CC1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(C(=O)c5ccc(CN6CCOCC6)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(C(=O)c5cccc(CN6CCOCC6)c5)CC4)cnc32)cc1
InChIInChI=1S/2C33H38N6O3.2C32H35N5O4/c1-35-12-14-36(15-13-35)22-25-4-8-28(9-5-25)33(42)38-18-16-37(17-19-38)30-20-29-10-11-39(32(29)34-21-30)23-26-2-6-27(7-3-26)31(41)24-40;1-35-11-13-36(14-12-35)22-26-3-2-4-29(19-26)33(42)38-17-15-37(16-18-38)30-20-28-9-10-39(32(28)34-21-30)23-25-5-7-27(8-6-25)31(41)24-40;38-23-30(39)26-5-1-25(2-6-26)22-37-10-9-28-19-29(20-33-31(28)37)35-11-13-36(14-12-35)32(40)27-7-3-24(4-8-27)21-34-15-17-41-18-16-34;38-23-30(39)26-6-4-24(5-7-26)22-37-9-8-27-19-29(20-33-31(27)37)35-10-12-36(13-11-35)32(40)28-3-1-2-25(18-28)21-34-14-16-41-17-15-34/h2-11,20-21,40H,12-19,22-24H2,1H3;2-10,19-21,40H,11-18,22-24H2,1H3;1-10,19-20,38H,11-18,21-23H2;1-9,18-20,38H,10-17,21-23H2
InChIKeyZNRLGIQFNYIUGZ-UHFFFAOYSA-N
XLogP12.05
TPSA352.58 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002240.74
LogP ≤ 512.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone (CID 162170187) is 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone is CN1CCN(Cc2ccc(C(=O)N3CCN(c4cnc5c(ccn5Cc5ccc(C(=O)CO)cc5)c4)CC3)cc2)CC1.CN1CCN(Cc2cccc(C(=O)N3CCN(c4cnc5c(ccn5Cc5ccc(C(=O)CO)cc5)c4)CC3)c2)CC1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(C(=O)c5ccc(CN6CCOCC6)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(C(=O)c5cccc(CN6CCOCC6)c5)CC4)cnc32)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The InChIKey is ZNRLGIQFNYIUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H38N6O3.2C32H35N5O4/c1-35-12-14-36(15-13-35)22-25-4-8-28(9-5-25)33(42)38-18-16-37(17-19-38)30-20-29-10-11-39(32(29)34-21-30)23-26-2-6-27(7-3-26)31(41)24-40;1-35-11-13-36(14-12-35)22-26-3-2-4-29(19-26)33(42)38-17-15-37(16-18-38)30-20-28-9-10-39(32(28)34-21-30)23-25-5-7-27(8-6-25)31(41)24-40;38-23-30(39)26-5-1-25(2-6-26)22-37-10-9-28-19-29(20-33-31(28)37)35-11-13-36(14-12-35)32(40)27-7-3-24(4-8-27)21-34-15-17-41-18-16-34;38-23-30(39)26-6-4-24(5-7-26)22-37-9-8-27-19-29(20-33-31(27)37)35-10-12-36(13-11-35)32(40)28-3-1-2-25(18-28)21-34-14-16-41-17-15-34/h2-11,20-21,40H,12-19,22-24H2,1H3;2-10,19-21,40H,11-18,22-24H2,1H3;1-10,19-20,38H,11-18,21-23H2;1-9,18-20,38H,10-17,21-23H2.
What are the key properties of 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone has a molecular weight of 2240.74 g/mol, XLogP of 12.05, 32 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[5-[4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[4-[4-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 162170187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).