(2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide

C32H43N7O3S2 — CID 87542027

IUPAC(2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide
SMILESCN1CCN(c2ccc3nc(NC(=O)[C@H](CC4CCCC4)c4ccc(S(=O)(=O)N5CCN(C)C6(CC6)C5)cc4)sc3n2)CC1
InChIInChI=1S/C32H43N7O3S2/c1-36-15-18-38(19-16-36)28-12-11-27-30(34-28)43-31(33-27)35-29(40)26(21-23-5-3-4-6-23)24-7-9-25(10-8-24)44(41,42)39-20-17-37(2)32(22-39)13-14-32/h7-12,23,26H,3-6,13-22H2,1-2H3,(H,33,35,40)/t26-/m1/s1
InChIKeyMXGNZJOBOJWJFU-AREMUKBSSA-N
MW637.88 g/mol
LogP4.21
Rot. Bonds8

About (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide

(2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide (PubChem CID 87542027) has the molecular formula C32H43N7O3S2 and a molecular weight of 637.88 g/mol. Its IUPAC name is (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide
PubChem CID87542027
Molecular FormulaC32H43N7O3S2
Molecular Weight637.88 g/mol
Exact Mass637.29
IUPAC Name(2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide
SMILESCN1CCN(c2ccc3nc(NC(=O)[C@H](CC4CCCC4)c4ccc(S(=O)(=O)N5CCN(C)C6(CC6)C5)cc4)sc3n2)CC1
InChIInChI=1S/C32H43N7O3S2/c1-36-15-18-38(19-16-36)28-12-11-27-30(34-28)43-31(33-27)35-29(40)26(21-23-5-3-4-6-23)24-7-9-25(10-8-24)44(41,42)39-20-17-37(2)32(22-39)13-14-32/h7-12,23,26H,3-6,13-22H2,1-2H3,(H,33,35,40)/t26-/m1/s1
InChIKeyMXGNZJOBOJWJFU-AREMUKBSSA-N
XLogP4.21
TPSA101.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide with MolForge

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Related Compounds

(2R)-3-cyclopentyl-N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 87541899
(2R)-3-cyclopentyl-N-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 87541932
(2R)-N-(5-benzyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 87541958
(2R)-3-cyclopentyl-N-[5-(2-methoxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 87541743
2-[[(2R)-3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]-N-(2-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridine-5-carboxamide
CID 91604094
N-[(3R)-4-cyclopentyl-3-[4-(3,3,4-trimethylpiperazin-1-yl)sulfonylphenyl]but-1-en-2-yl]-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 143114634
(2R)-3-cyclopentyl-2-[4-(4,7-diazaspiro[2.5]octan-7-ylsulfonyl)phenyl]-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 89249609
sodium;1-[4-[3-cyclopentyl-1-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxopropan-2-yl]phenyl]sulfonylpiperidine-4-carboxylic acid;hydroxide
CID 160976378
3-cyclopentyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 11563619
(2R)-4-[4-[3-cyclopentyl-1-oxo-1-[(5-pyridin-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]propan-2-yl]phenyl]sulfonyl-1-methylpiperazine-2-carboxylic acid
CID 87541751
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 11642856

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide?
The IUPAC name of (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide (CID 87542027) is (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide.
What is the SMILES notation for (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide?
The canonical SMILES for (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide is CN1CCN(c2ccc3nc(NC(=O)[C@H](CC4CCCC4)c4ccc(S(=O)(=O)N5CCN(C)C6(CC6)C5)cc4)sc3n2)CC1.
What is the InChIKey of (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide?
The InChIKey is MXGNZJOBOJWJFU-AREMUKBSSA-N. The full InChI is InChI=1S/C32H43N7O3S2/c1-36-15-18-38(19-16-36)28-12-11-27-30(34-28)43-31(33-27)35-29(40)26(21-23-5-3-4-6-23)24-7-9-25(10-8-24)44(41,42)39-20-17-37(2)32(22-39)13-14-32/h7-12,23,26H,3-6,13-22H2,1-2H3,(H,33,35,40)/t26-/m1/s1.
What are the key properties of (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide?
(2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide has a molecular weight of 637.88 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopentyl-2-[4-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)sulfonyl]phenyl]-N-[5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 87542027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).