N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide

C26H29N9O2 — CID 68815718

IUPACN-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)NC3CCCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C26H29N9O2/c1-16-13-24(33-32-16)30-23-15-20(25(36)28-17-7-2-3-8-17)29-26(31-23)35-12-6-10-21(35)22-14-19(34-37-22)18-9-4-5-11-27-18/h4-5,9,11,13-15,17,21H,2-3,6-8,10,12H2,1H3,(H,28,36)(H2,29,30,31,32,33)
InChIKeyKOPHCIRJZBKQIW-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.32
Rot. Bonds7

About N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide

N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 68815718) has the molecular formula C26H29N9O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
PubChem CID68815718
Molecular FormulaC26H29N9O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC NameN-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)NC3CCCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C26H29N9O2/c1-16-13-24(33-32-16)30-23-15-20(25(36)28-17-7-2-3-8-17)29-26(31-23)35-12-6-10-21(35)22-14-19(34-37-22)18-9-4-5-11-27-18/h4-5,9,11,13-15,17,21H,2-3,6-8,10,12H2,1H3,(H,28,36)(H2,29,30,31,32,33)
InChIKeyKOPHCIRJZBKQIW-UHFFFAOYSA-N
XLogP4.32
TPSA137.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide (CID 68815718) is N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide is Cc1cc(Nc2cc(C(=O)NC3CCCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1.
What is the InChIKey of N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is KOPHCIRJZBKQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O2/c1-16-13-24(33-32-16)30-23-15-20(25(36)28-17-7-2-3-8-17)29-26(31-23)35-12-6-10-21(35)22-14-19(34-37-22)18-9-4-5-11-27-18/h4-5,9,11,13-15,17,21H,2-3,6-8,10,12H2,1H3,(H,28,36)(H2,29,30,31,32,33).
What are the key properties of N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide?
N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 68815718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).