N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H28N8O3 — CID 146559193

IUPACN-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(C)nc3)c2=O)nc2c(C(=O)N[C@H]3CC[C@]3(C)OC)cnn12
InChIInChI=1S/C25H28N8O3/c1-15-7-8-16(13-27-15)32-11-5-6-18(24(32)35)29-20-12-21(26-3)33-22(31-20)17(14-28-33)23(34)30-19-9-10-25(19,2)36-4/h5-8,11-14,19,26H,9-10H2,1-4H3,(H,29,31)(H,30,34)/t19-,25-/m0/s1
InChIKeyYCAAYSHRRACSIP-DFBJGRDBSA-N
MW488.55 g/mol
LogP2.67
Rot. Bonds7

About N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559193) has the molecular formula C25H28N8O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146559193
Molecular FormulaC25H28N8O3
Molecular Weight488.55 g/mol
Exact Mass488.23
IUPAC NameN-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(C)nc3)c2=O)nc2c(C(=O)N[C@H]3CC[C@]3(C)OC)cnn12
InChIInChI=1S/C25H28N8O3/c1-15-7-8-16(13-27-15)32-11-5-6-18(24(32)35)29-20-12-21(26-3)33-22(31-20)17(14-28-33)23(34)30-19-9-10-25(19,2)36-4/h5-8,11-14,19,26H,9-10H2,1-4H3,(H,29,31)(H,30,34)/t19-,25-/m0/s1
InChIKeyYCAAYSHRRACSIP-DFBJGRDBSA-N
XLogP2.67
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide 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-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559193) is N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccc(C)nc3)c2=O)nc2c(C(=O)N[C@H]3CC[C@]3(C)OC)cnn12.
What is the InChIKey of N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YCAAYSHRRACSIP-DFBJGRDBSA-N. The full InChI is InChI=1S/C25H28N8O3/c1-15-7-8-16(13-27-15)32-11-5-6-18(24(32)35)29-20-12-21(26-3)33-22(31-20)17(14-28-33)23(34)30-19-9-10-25(19,2)36-4/h5-8,11-14,19,26H,9-10H2,1-4H3,(H,29,31)(H,30,34)/t19-,25-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).