N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide

C32H37N11O3 — CID 170673069

IUPACN-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CC[C@H](Oc4ccnc(N5CCOCC5)n4)C3)cccc12
InChIInChI=1S/C32H37N11O3/c1-20-16-35-31(37-26-15-21(2)41(3)40-26)39-29(20)24-17-34-30-23(24)5-4-6-25(30)36-27(44)19-42-10-8-22(18-42)46-28-7-9-33-32(38-28)43-11-13-45-14-12-43/h4-7,9,15-17,22,34H,8,10-14,18-19H2,1-3H3,(H,36,44)(H,35,37,39,40)/t22-/m0/s1
InChIKeyOQLFYMLUUWKCHW-QFIPXVFZSA-N
MW623.72 g/mol
LogP3.44
Rot. Bonds9

About N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide

N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide (PubChem CID 170673069) has the molecular formula C32H37N11O3 and a molecular weight of 623.72 g/mol. Its IUPAC name is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide
PubChem CID170673069
Molecular FormulaC32H37N11O3
Molecular Weight623.72 g/mol
Exact Mass623.31
IUPAC NameN-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CC[C@H](Oc4ccnc(N5CCOCC5)n4)C3)cccc12
InChIInChI=1S/C32H37N11O3/c1-20-16-35-31(37-26-15-21(2)41(3)40-26)39-29(20)24-17-34-30-23(24)5-4-6-25(30)36-27(44)19-42-10-8-22(18-42)46-28-7-9-33-32(38-28)43-11-13-45-14-12-43/h4-7,9,15-17,22,34H,8,10-14,18-19H2,1-3H3,(H,36,44)(H,35,37,39,40)/t22-/m0/s1
InChIKeyOQLFYMLUUWKCHW-QFIPXVFZSA-N
XLogP3.44
TPSA151.24 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.72
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67259771
CID 67259771
CID 126715380
CID 126715380
CID 126715366
CID 126715366
CID 126715367
CID 126715367
CID 126715387
CID 126715387
CID 126715392
CID 126715392
CID 126715400
CID 126715400
CID 126715460
CID 126715460
CID 155518921
CID 155518921
CID 126715363
CID 126715363
CID 53261896
CID 53261896
CID 53261962
CID 53261962

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide (CID 170673069) is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CC[C@H](Oc4ccnc(N5CCOCC5)n4)C3)cccc12.
What is the InChIKey of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide?
The InChIKey is OQLFYMLUUWKCHW-QFIPXVFZSA-N. The full InChI is InChI=1S/C32H37N11O3/c1-20-16-35-31(37-26-15-21(2)41(3)40-26)39-29(20)24-17-34-30-23(24)5-4-6-25(30)36-27(44)19-42-10-8-22(18-42)46-28-7-9-33-32(38-28)43-11-13-45-14-12-43/h4-7,9,15-17,22,34H,8,10-14,18-19H2,1-3H3,(H,36,44)(H,35,37,39,40)/t22-/m0/s1.
What are the key properties of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide?
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide has a molecular weight of 623.72 g/mol, XLogP of 3.44, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 170673069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).