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

C21H25F2N5O — CID 90292809

IUPAC5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(CC3CC3)n2)cc1C(F)F
InChIInChI=1S/C21H25F2N5O/c22-20(23)14-3-12(5-25-21(14)24)17-4-18(28(26-17)6-11-1-2-11)19-15-7-27(8-16(15)19)13-9-29-10-13/h3-5,11,13,15-16,19-20H,1-2,6-10H2,(H2,24,25)/t15-,16+,19?
InChIKeyUFJSRKPYYYWBRZ-MCPYQZEQSA-N
MW401.46 g/mol
LogP2.92
Rot. Bonds6

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

5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine (PubChem CID 90292809) has the molecular formula C21H25F2N5O and a molecular weight of 401.46 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine
PubChem CID90292809
Molecular FormulaC21H25F2N5O
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Name5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(CC3CC3)n2)cc1C(F)F
InChIInChI=1S/C21H25F2N5O/c22-20(23)14-3-12(5-25-21(14)24)17-4-18(28(26-17)6-11-1-2-11)19-15-7-27(8-16(15)19)13-9-29-10-13/h3-5,11,13,15-16,19-20H,1-2,6-10H2,(H2,24,25)/t15-,16+,19?
InChIKeyUFJSRKPYYYWBRZ-MCPYQZEQSA-N
XLogP2.92
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine (CID 90292809) is 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine is Nc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(CC3CC3)n2)cc1C(F)F.
What is the InChIKey of 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine?
The InChIKey is UFJSRKPYYYWBRZ-MCPYQZEQSA-N. The full InChI is InChI=1S/C21H25F2N5O/c22-20(23)14-3-12(5-25-21(14)24)17-4-18(28(26-17)6-11-1-2-11)19-15-7-27(8-16(15)19)13-9-29-10-13/h3-5,11,13,15-16,19-20H,1-2,6-10H2,(H2,24,25)/t15-,16+,19?.
What are the key properties of 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine?
5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine has a molecular weight of 401.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 90292809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).