2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C21H23N9O — CID 11951135

IUPAC2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCNc1ncccc1-c1cc([C@@H]2CCCN2c2nccc(Nc3cc(C)[nH]n3)n2)on1
InChIInChI=1S/C21H23N9O/c1-13-11-19(28-27-13)25-18-7-9-24-21(26-18)30-10-4-6-16(30)17-12-15(29-31-17)14-5-3-8-23-20(14)22-2/h3,5,7-9,11-12,16H,4,6,10H2,1-2H3,(H,22,23)(H2,24,25,26,27,28)/t16-/m0/s1
InChIKeyRPDDYHNYVSOIJC-INIZCTEOSA-N
MW417.48 g/mol
LogP3.68
Rot. Bonds6

About 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 11951135) has the molecular formula C21H23N9O and a molecular weight of 417.48 g/mol. Its IUPAC name is 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID11951135
Molecular FormulaC21H23N9O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCNc1ncccc1-c1cc([C@@H]2CCCN2c2nccc(Nc3cc(C)[nH]n3)n2)on1
InChIInChI=1S/C21H23N9O/c1-13-11-19(28-27-13)25-18-7-9-24-21(26-18)30-10-4-6-16(30)17-12-15(29-31-17)14-5-3-8-23-20(14)22-2/h3,5,7-9,11-12,16H,4,6,10H2,1-2H3,(H,22,23)(H2,24,25,26,27,28)/t16-/m0/s1
InChIKeyRPDDYHNYVSOIJC-INIZCTEOSA-N
XLogP3.68
TPSA120.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine 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 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 11951135) is 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CNc1ncccc1-c1cc([C@@H]2CCCN2c2nccc(Nc3cc(C)[nH]n3)n2)on1.
What is the InChIKey of 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is RPDDYHNYVSOIJC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N9O/c1-13-11-19(28-27-13)25-18-7-9-24-21(26-18)30-10-4-6-16(30)17-12-15(29-31-17)14-5-3-8-23-20(14)22-2/h3,5,7-9,11-12,16H,4,6,10H2,1-2H3,(H,22,23)(H2,24,25,26,27,28)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 417.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 11951135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).