N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H23N5O2 — CID 170960803

IUPACN-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(C(C)C)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C16H23N5O2/c1-9(2)12-7-14(17-3)21-15(19-12)10(8-18-21)16(22)20-11-5-6-13(11)23-4/h7-9,11,13,17H,5-6H2,1-4H3,(H,20,22)/t11-,13-/m0/s1
InChIKeyWSQQQJAAPBWCNB-AAEUAGOBSA-N
MW317.39 g/mol
LogP1.80
Rot. Bonds5

About N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 170960803) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID170960803
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(C(C)C)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C16H23N5O2/c1-9(2)12-7-14(17-3)21-15(19-12)10(8-18-21)16(22)20-11-5-6-13(11)23-4/h7-9,11,13,17H,5-6H2,1-4H3,(H,20,22)/t11-,13-/m0/s1
InChIKeyWSQQQJAAPBWCNB-AAEUAGOBSA-N
XLogP1.80
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[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

Related Compounds

N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
5-cyclopropyl-7-(difluoromethyl)-N-(tetrahydro-2-furanylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978511
5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097803
5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440633
N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769220
5-(5-fluoro-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146426595
5-(5-fluoro-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146426598
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146570377
N-(4-hydroxybutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60166852
N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560233
5,7-dimethyl-N-((1r,4r)-4-(pentyloxy)cyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327414
5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3113009

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 170960803) is N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(C(C)C)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WSQQQJAAPBWCNB-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-9(2)12-7-14(17-3)21-15(19-12)10(8-18-21)16(22)20-11-5-6-13(11)23-4/h7-9,11,13,17H,5-6H2,1-4H3,(H,20,22)/t11-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170960803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).