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

C24H26N8O3 — CID 137450100

IUPACN-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccnc3C)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C24H26N8O3/c1-14-18(7-4-10-26-14)31-11-5-6-17(24(31)34)28-20-12-21(25-2)32-22(30-20)15(13-27-32)23(33)29-16-8-9-19(16)35-3/h4-7,10-13,16,19,25H,8-9H2,1-3H3,(H,28,30)(H,29,33)/t16-,19-/m0/s1
InChIKeyKTRPCAQKULFJCG-LPHOPBHVSA-N
MW474.53 g/mol
LogP2.28
Rot. Bonds7

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

N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450100) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450100
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC NameN-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccnc3C)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C24H26N8O3/c1-14-18(7-4-10-26-14)31-11-5-6-17(24(31)34)28-20-12-21(25-2)32-22(30-20)15(13-27-32)23(33)29-16-8-9-19(16)35-3/h4-7,10-13,16,19,25H,8-9H2,1-3H3,(H,28,30)(H,29,33)/t16-,19-/m0/s1
InChIKeyKTRPCAQKULFJCG-LPHOPBHVSA-N
XLogP2.28
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-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-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450100) is N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-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-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cccnc3C)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KTRPCAQKULFJCG-LPHOPBHVSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-14-18(7-4-10-26-14)31-11-5-6-17(24(31)34)28-20-12-21(25-2)32-22(30-20)15(13-27-32)23(33)29-16-8-9-19(16)35-3/h4-7,10-13,16,19,25H,8-9H2,1-3H3,(H,28,30)(H,29,33)/t16-,19-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 2.28, 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-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).