5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine

C24H31N5O — CID 118620128

IUPAC5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(CC3CCC3)n2)cc1C1CC1
InChIInChI=1S/C24H31N5O/c25-24-18(15-4-5-15)6-16(8-26-24)21-7-22(29(27-21)9-14-2-1-3-14)23-19-10-28(11-20(19)23)17-12-30-13-17/h6-8,14-15,17,19-20,23H,1-5,9-13H2,(H2,25,26)/t19-,20+,23?
InChIKeyWLKSNJMVAVXASO-DETIRCLXSA-N
MW405.55 g/mol
LogP3.25
Rot. Bonds6

About 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine

5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine (PubChem CID 118620128) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine.

Molecular Properties

Compound Name5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine
PubChem CID118620128
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(CC3CCC3)n2)cc1C1CC1
InChIInChI=1S/C24H31N5O/c25-24-18(15-4-5-15)6-16(8-26-24)21-7-22(29(27-21)9-14-2-1-3-14)23-19-10-28(11-20(19)23)17-12-30-13-17/h6-8,14-15,17,19-20,23H,1-5,9-13H2,(H2,25,26)/t19-,20+,23?
InChIKeyWLKSNJMVAVXASO-DETIRCLXSA-N
XLogP3.25
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-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 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine?
The IUPAC name of 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine (CID 118620128) is 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine.
What is the SMILES notation for 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine?
The canonical SMILES for 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine is Nc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(CC3CCC3)n2)cc1C1CC1.
What is the InChIKey of 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine?
The InChIKey is WLKSNJMVAVXASO-DETIRCLXSA-N. The full InChI is InChI=1S/C24H31N5O/c25-24-18(15-4-5-15)6-16(8-26-24)21-7-22(29(27-21)9-14-2-1-3-14)23-19-10-28(11-20(19)23)17-12-30-13-17/h6-8,14-15,17,19-20,23H,1-5,9-13H2,(H2,25,26)/t19-,20+,23?.
What are the key properties of 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine?
5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine has a molecular weight of 405.55 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine is sourced from PubChem (CID 118620128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).