N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide

C26H27N9O2 — CID 68814438

IUPACN-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide
SMILESCC(=O)N(C)CC#Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C26H27N9O2/c1-17-14-25(32-31-17)29-24-15-19(8-6-12-34(3)18(2)36)28-26(30-24)35-13-7-10-22(35)23-16-21(33-37-23)20-9-4-5-11-27-20/h4-5,9,11,14-16,22H,7,10,12-13H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyUTNIGOPNPOCPRF-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.47
Rot. Bonds6

About N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide

N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide (PubChem CID 68814438) has the molecular formula C26H27N9O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide
PubChem CID68814438
Molecular FormulaC26H27N9O2
Molecular Weight497.56 g/mol
Exact Mass497.23
IUPAC NameN-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide
SMILESCC(=O)N(C)CC#Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C26H27N9O2/c1-17-14-25(32-31-17)29-24-15-19(8-6-12-34(3)18(2)36)28-26(30-24)35-13-7-10-22(35)23-16-21(33-37-23)20-9-4-5-11-27-20/h4-5,9,11,14-16,22H,7,10,12-13H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyUTNIGOPNPOCPRF-UHFFFAOYSA-N
XLogP3.47
TPSA128.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]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-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide?
The IUPAC name of N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide (CID 68814438) is N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide is CC(=O)N(C)CC#Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3ccccn3)no2)n1.
What is the InChIKey of N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide?
The InChIKey is UTNIGOPNPOCPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O2/c1-17-14-25(32-31-17)29-24-15-19(8-6-12-34(3)18(2)36)28-26(30-24)35-13-7-10-22(35)23-16-21(33-37-23)20-9-4-5-11-27-20/h4-5,9,11,14-16,22H,7,10,12-13H2,1-3H3,(H2,28,29,30,31,32).
What are the key properties of N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide?
N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide has a molecular weight of 497.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]prop-2-ynyl]acetamide is sourced from PubChem (CID 68814438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).