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

C20H24ClN5O — CID 90292679

IUPAC3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C3CCC3)n2)cc1Cl
InChIInChI=1S/C20H24ClN5O/c21-16-4-11(6-23-20(16)22)17-5-18(26(24-17)12-2-1-3-12)19-14-7-25(8-15(14)19)13-9-27-10-13/h4-6,12-15,19H,1-3,7-10H2,(H2,22,23)/t14-,15+,19?
InChIKeyZLXHIEUKKOWKTQ-RTHVDDQRSA-N
MW385.90 g/mol
LogP2.95
Rot. Bonds4

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

3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 90292679) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
PubChem CID90292679
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C3CCC3)n2)cc1Cl
InChIInChI=1S/C20H24ClN5O/c21-16-4-11(6-23-20(16)22)17-5-18(26(24-17)12-2-1-3-12)19-14-7-25(8-15(14)19)13-9-27-10-13/h4-6,12-15,19H,1-3,7-10H2,(H2,22,23)/t14-,15+,19?
InChIKeyZLXHIEUKKOWKTQ-RTHVDDQRSA-N
XLogP2.95
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (CID 90292679) is 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine is Nc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C3CCC3)n2)cc1Cl.
What is the InChIKey of 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The InChIKey is ZLXHIEUKKOWKTQ-RTHVDDQRSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-16-4-11(6-23-20(16)22)17-5-18(26(24-17)12-2-1-3-12)19-14-7-25(8-15(14)19)13-9-27-10-13/h4-6,12-15,19H,1-3,7-10H2,(H2,22,23)/t14-,15+,19?.
What are the key properties of 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine has a molecular weight of 385.90 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-cyclobutyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 90292679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).