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

C33H33N11O2 — CID 170673239

IUPACN-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-pyridin-3-ylpyrimidin-5-yl)oxypyrrolidin-1-yl]acetamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CC[C@H](Oc4cnc(-c5cccnc5)nc4)C3)cccc12
InChIInChI=1S/C33H33N11O2/c1-20-13-38-33(40-28-12-21(2)43(3)42-28)41-30(20)26-17-35-31-25(26)7-4-8-27(31)39-29(45)19-44-11-9-23(18-44)46-24-15-36-32(37-16-24)22-6-5-10-34-14-22/h4-8,10,12-17,23,35H,9,11,18-19H2,1-3H3,(H,39,45)(H,38,40,41,42)/t23-/m0/s1
InChIKeyGUUMJJJTKMMHSM-QHCPKHFHSA-N
MW615.70 g/mol
LogP4.66
Rot. Bonds9

About N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-pyridin-3-ylpyrimidin-5-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-pyridin-3-ylpyrimidin-5-yl)oxypyrrolidin-1-yl]acetamide (PubChem CID 170673239) has the molecular formula C33H33N11O2 and a molecular weight of 615.70 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-pyridin-3-ylpyrimidin-5-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-pyridin-3-ylpyrimidin-5-yl)oxypyrrolidin-1-yl]acetamide
PubChem CID170673239
Molecular FormulaC33H33N11O2
Molecular Weight615.70 g/mol
Exact Mass615.28
IUPAC NameN-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-pyridin-3-ylpyrimidin-5-yl)oxypyrrolidin-1-yl]acetamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CC[C@H](Oc4cnc(-c5cccnc5)nc4)C3)cccc12
InChIInChI=1S/C33H33N11O2/c1-20-13-38-33(40-28-12-21(2)43(3)42-28)41-30(20)26-17-35-31-25(26)7-4-8-27(31)39-29(45)19-44-11-9-23(18-44)46-24-15-36-32(37-16-24)22-6-5-10-34-14-22/h4-8,10,12-17,23,35H,9,11,18-19H2,1-3H3,(H,39,45)(H,38,40,41,42)/t23-/m0/s1
InChIKeyGUUMJJJTKMMHSM-QHCPKHFHSA-N
XLogP4.66
TPSA151.66 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.70
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

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-pyridin-3-ylpyrimidin-5-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-pyridin-3-ylpyrimidin-5-yl)oxypyrrolidin-1-yl]acetamide (CID 170673239) is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-pyridin-3-ylpyrimidin-5-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-pyridin-3-ylpyrimidin-5-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-pyridin-3-ylpyrimidin-5-yl)oxypyrrolidin-1-yl]acetamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CC[C@H](Oc4cnc(-c5cccnc5)nc4)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-pyridin-3-ylpyrimidin-5-yl)oxypyrrolidin-1-yl]acetamide?
The InChIKey is GUUMJJJTKMMHSM-QHCPKHFHSA-N. The full InChI is InChI=1S/C33H33N11O2/c1-20-13-38-33(40-28-12-21(2)43(3)42-28)41-30(20)26-17-35-31-25(26)7-4-8-27(31)39-29(45)19-44-11-9-23(18-44)46-24-15-36-32(37-16-24)22-6-5-10-34-14-22/h4-8,10,12-17,23,35H,9,11,18-19H2,1-3H3,(H,39,45)(H,38,40,41,42)/t23-/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-pyridin-3-ylpyrimidin-5-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-pyridin-3-ylpyrimidin-5-yl)oxypyrrolidin-1-yl]acetamide has a molecular weight of 615.70 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 11 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-pyridin-3-ylpyrimidin-5-yl)oxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 170673239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).