(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C110H114BrN27O10S — CID 159714754

IUPAC(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(Cc3cccnc3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(N2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C30H29N7O.C28H31N7O4S.C26H27BrN6O2.C26H27N7O3/c1-20(38)27-28(23-11-14-36(15-12-23)19-21-6-5-13-32-16-21)35-30-25(18-34-37(30)29(27)31)24-9-10-26(33-17-24)22-7-3-2-4-8-22;1-19(36)25-26(21-9-11-33(12-10-21)40(37,38)34-13-15-39-16-14-34)32-28-23(18-31-35(28)27(25)29)22-7-8-24(30-17-22)20-5-3-2-4-6-20;1-16(34)26(35)32-11-9-17(10-12-32)13-22-23(27)24(28)33-25(31-22)20(15-30-33)19-7-8-21(29-14-19)18-5-3-2-4-6-18;1-16(34)22-23(27)33-24(30-25(22)31-10-12-32(13-11-31)26(36)17(2)35)20(15-29-33)19-8-9-21(28-14-19)18-6-4-3-5-7-18/h2-10,13,16-18,23H,11-12,14-15,19,31H2,1H3;2-8,17-18,21H,9-16,29H2,1H3;2-8,14-17,34H,9-13,28H2,1H3;3-9,14-15,17,35H,10-13,27H2,1-2H3/t;;16-;17-/m..11/s1
InChIKeyMZHCOKQJYUXFDG-WKPIWSCDSA-N
MW2086.27 g/mol
LogP14.25
Rot. Bonds22

About (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 159714754) has the molecular formula C110H114BrN27O10S and a molecular weight of 2086.27 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID159714754
Molecular FormulaC110H114BrN27O10S
Molecular Weight2086.27 g/mol
Exact Mass2083.81
IUPAC Name(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(Cc3cccnc3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(N2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C30H29N7O.C28H31N7O4S.C26H27BrN6O2.C26H27N7O3/c1-20(38)27-28(23-11-14-36(15-12-23)19-21-6-5-13-32-16-21)35-30-25(18-34-37(30)29(27)31)24-9-10-26(33-17-24)22-7-3-2-4-8-22;1-19(36)25-26(21-9-11-33(12-10-21)40(37,38)34-13-15-39-16-14-34)32-28-23(18-31-35(28)27(25)29)22-7-8-24(30-17-22)20-5-3-2-4-6-20;1-16(34)26(35)32-11-9-17(10-12-32)13-22-23(27)24(28)33-25(31-22)20(15-30-33)19-7-8-21(29-14-19)18-5-3-2-4-6-18;1-16(34)22-23(27)33-24(30-25(22)31-10-12-32(13-11-31)26(36)17(2)35)20(15-29-33)19-8-9-21(28-14-19)18-6-4-3-5-7-18/h2-10,13,16-18,23H,11-12,14-15,19,31H2,1H3;2-8,17-18,21H,9-16,29H2,1H3;2-8,14-17,34H,9-13,28H2,1H3;3-9,14-15,17,35H,10-13,27H2,1-2H3/t;;16-;17-/m..11/s1
InChIKeyMZHCOKQJYUXFDG-WKPIWSCDSA-N
XLogP14.25
TPSA477.91 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002086.27
LogP ≤ 514.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 159714754) is (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(Cc3cccnc3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(N2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.
What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is MZHCOKQJYUXFDG-WKPIWSCDSA-N. The full InChI is InChI=1S/C30H29N7O.C28H31N7O4S.C26H27BrN6O2.C26H27N7O3/c1-20(38)27-28(23-11-14-36(15-12-23)19-21-6-5-13-32-16-21)35-30-25(18-34-37(30)29(27)31)24-9-10-26(33-17-24)22-7-3-2-4-8-22;1-19(36)25-26(21-9-11-33(12-10-21)40(37,38)34-13-15-39-16-14-34)32-28-23(18-31-35(28)27(25)29)22-7-8-24(30-17-22)20-5-3-2-4-6-20;1-16(34)26(35)32-11-9-17(10-12-32)13-22-23(27)24(28)33-25(31-22)20(15-30-33)19-7-8-21(29-14-19)18-5-3-2-4-6-18;1-16(34)22-23(27)33-24(30-25(22)31-10-12-32(13-11-31)26(36)17(2)35)20(15-29-33)19-8-9-21(28-14-19)18-6-4-3-5-7-18/h2-10,13,16-18,23H,11-12,14-15,19,31H2,1H3;2-8,17-18,21H,9-16,29H2,1H3;2-8,14-17,34H,9-13,28H2,1H3;3-9,14-15,17,35H,10-13,27H2,1-2H3/t;;16-;17-/m..11/s1.
What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2086.27 g/mol, XLogP of 14.25, 22 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 159714754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).