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

C21H26ClN5O — CID 90292760

IUPAC3-chloro-5-[1-cyclopentyl-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(C3CCCC3)n2)cc1Cl
InChIInChI=1S/C21H26ClN5O/c22-17-5-12(7-24-21(17)23)18-6-19(27(25-18)13-3-1-2-4-13)20-15-8-26(9-16(15)20)14-10-28-11-14/h5-7,13-16,20H,1-4,8-11H2,(H2,23,24)/t15-,16+,20?
InChIKeyQUGFVMNOCMLPOA-NYTJIUQPSA-N
MW399.93 g/mol
LogP3.34
Rot. Bonds4

About 3-chloro-5-[1-cyclopentyl-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-cyclopentyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 90292760) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is 3-chloro-5-[1-cyclopentyl-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-cyclopentyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
PubChem CID90292760
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name3-chloro-5-[1-cyclopentyl-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(C3CCCC3)n2)cc1Cl
InChIInChI=1S/C21H26ClN5O/c22-17-5-12(7-24-21(17)23)18-6-19(27(25-18)13-3-1-2-4-13)20-15-8-26(9-16(15)20)14-10-28-11-14/h5-7,13-16,20H,1-4,8-11H2,(H2,23,24)/t15-,16+,20?
InChIKeyQUGFVMNOCMLPOA-NYTJIUQPSA-N
XLogP3.34
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-[1-cyclopentyl-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-cyclopentyl-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-cyclopentyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (CID 90292760) is 3-chloro-5-[1-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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(C3CCCC3)n2)cc1Cl.
What is the InChIKey of 3-chloro-5-[1-cyclopentyl-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The InChIKey is QUGFVMNOCMLPOA-NYTJIUQPSA-N. The full InChI is InChI=1S/C21H26ClN5O/c22-17-5-12(7-24-21(17)23)18-6-19(27(25-18)13-3-1-2-4-13)20-15-8-26(9-16(15)20)14-10-28-11-14/h5-7,13-16,20H,1-4,8-11H2,(H2,23,24)/t15-,16+,20?.
What are the key properties of 3-chloro-5-[1-cyclopentyl-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-cyclopentyl-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 399.93 g/mol, XLogP of 3.34, 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-cyclopentyl-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 90292760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).