5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine

C28H29N5 — CID 157484417

IUPAC5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=C(c2ccc3[nH]ccc3n2)c2cc(-c3ccc(CN4CCN(C)CC4)cc3)cnc2C1
InChIInChI=1S/C28H29N5/c1-19-15-27-23(28(19)26-8-7-24-25(31-26)9-10-29-24)16-22(17-30-27)21-5-3-20(4-6-21)18-33-13-11-32(2)12-14-33/h3-10,16-17,29H,11-15,18H2,1-2H3
InChIKeySUXPGDONMPAMRR-UHFFFAOYSA-N
MW435.58 g/mol
LogP4.75
Rot. Bonds4

About 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine

5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 157484417) has the molecular formula C28H29N5 and a molecular weight of 435.58 g/mol. Its IUPAC name is 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID157484417
Molecular FormulaC28H29N5
Molecular Weight435.58 g/mol
Exact Mass435.24
IUPAC Name5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=C(c2ccc3[nH]ccc3n2)c2cc(-c3ccc(CN4CCN(C)CC4)cc3)cnc2C1
InChIInChI=1S/C28H29N5/c1-19-15-27-23(28(19)26-8-7-24-25(31-26)9-10-29-24)16-22(17-30-27)21-5-3-20(4-6-21)18-33-13-11-32(2)12-14-33/h3-10,16-17,29H,11-15,18H2,1-2H3
InChIKeySUXPGDONMPAMRR-UHFFFAOYSA-N
XLogP4.75
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
CID 157118893
2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
CID 160536618
bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine
CID 159865284
3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine
CID 149443901
3-(1H-indazol-5-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 54765268
5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
CID 159636059
ethyl 4-[[4-[5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]methyl]piperazine-1-carboxylate
CID 160645057
3-(2-deuterio-1H-indol-5-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 54765088
5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
CID 162176179
1-[4-[[4-[5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 158741761
3-(7-fluoro-1H-indol-5-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 54765176
4-[[4-[5-(1H-indol-5-yl)-7-methyl-7,8-dihydroquinolin-3-yl]phenyl]methyl]-1-methylpiperazin-2-one
CID 91100403

Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine (CID 157484417) is 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine is CC1=C(c2ccc3[nH]ccc3n2)c2cc(-c3ccc(CN4CCN(C)CC4)cc3)cnc2C1.
What is the InChIKey of 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is SUXPGDONMPAMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5/c1-19-15-27-23(28(19)26-8-7-24-25(31-26)9-10-29-24)16-22(17-30-27)21-5-3-20(4-6-21)18-33-13-11-32(2)12-14-33/h3-10,16-17,29H,11-15,18H2,1-2H3.
What are the key properties of 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine?
5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 435.58 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 157484417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).