1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea

C20H25N9O — CID 11997808

IUPAC1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea
SMILESCc1cc(Nc2nc(N3C[C@@H]4C(NC(=O)NC(C)C)[C@@H]4C3)nc3ncccc23)n[nH]1
InChIInChI=1S/C20H25N9O/c1-10(2)22-20(30)24-16-13-8-29(9-14(13)16)19-25-17-12(5-4-6-21-17)18(26-19)23-15-7-11(3)27-28-15/h4-7,10,13-14,16H,8-9H2,1-3H3,(H2,22,24,30)(H2,21,23,25,26,27,28)/t13-,14+,16?
InChIKeyAHSNSYCRFVBYMR-MZBDJJRSSA-N
MW407.48 g/mol
LogP1.94
Rot. Bonds5

About 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea

1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea (PubChem CID 11997808) has the molecular formula C20H25N9O and a molecular weight of 407.48 g/mol. Its IUPAC name is 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea
PubChem CID11997808
Molecular FormulaC20H25N9O
Molecular Weight407.48 g/mol
Exact Mass407.22
IUPAC Name1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea
SMILESCc1cc(Nc2nc(N3C[C@@H]4C(NC(=O)NC(C)C)[C@@H]4C3)nc3ncccc23)n[nH]1
InChIInChI=1S/C20H25N9O/c1-10(2)22-20(30)24-16-13-8-29(9-14(13)16)19-25-17-12(5-4-6-21-17)18(26-19)23-15-7-11(3)27-28-15/h4-7,10,13-14,16H,8-9H2,1-3H3,(H2,22,24,30)(H2,21,23,25,26,27,28)/t13-,14+,16?
InChIKeyAHSNSYCRFVBYMR-MZBDJJRSSA-N
XLogP1.94
TPSA123.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea 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

2-methoxy-N-[(1S,5R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11997665
tert-butyl N-[(1S,5R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 69078668
2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 166774132
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
methyl (1S,4S)-5-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 11996023
1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
CID 90246947
2-ethylsulfanyl-1-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one
CID 156600998
tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate
CID 150451383
O-methyl 2-[(1R,5S)-3-[[8-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]-2-oxoethanethioate
CID 169422879
(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
CID 68787141
N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 63818386
(1-hydroxycyclopropyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532779

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea (CID 11997808) is 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea is Cc1cc(Nc2nc(N3C[C@@H]4C(NC(=O)NC(C)C)[C@@H]4C3)nc3ncccc23)n[nH]1.
What is the InChIKey of 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea?
The InChIKey is AHSNSYCRFVBYMR-MZBDJJRSSA-N. The full InChI is InChI=1S/C20H25N9O/c1-10(2)22-20(30)24-16-13-8-29(9-14(13)16)19-25-17-12(5-4-6-21-17)18(26-19)23-15-7-11(3)27-28-15/h4-7,10,13-14,16H,8-9H2,1-3H3,(H2,22,24,30)(H2,21,23,25,26,27,28)/t13-,14+,16?.
What are the key properties of 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea?
1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea has a molecular weight of 407.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylurea is sourced from PubChem (CID 11997808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).