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

C21H25F2N5O2 — CID 90292719

IUPAC5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(CC3CC3)n2)cc1OC(F)F
InChIInChI=1S/C21H25F2N5O2/c22-21(23)30-18-3-12(5-25-20(18)24)16-4-17(28(26-16)6-11-1-2-11)19-14-7-27(8-15(14)19)13-9-29-10-13/h3-5,11,13-15,19,21H,1-2,6-10H2,(H2,24,25)/t14-,15+,19?
InChIKeyWIQMAMHAQGIBLB-RTHVDDQRSA-N
MW417.46 g/mol
LogP2.58
Rot. Bonds7

About 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)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-(difluoromethoxy)pyridin-2-amine (PubChem CID 90292719) has the molecular formula C21H25F2N5O2 and a molecular weight of 417.46 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-(difluoromethoxy)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-(difluoromethoxy)pyridin-2-amine
PubChem CID90292719
Molecular FormulaC21H25F2N5O2
Molecular Weight417.46 g/mol
Exact Mass417.20
IUPAC Name5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(CC3CC3)n2)cc1OC(F)F
InChIInChI=1S/C21H25F2N5O2/c22-21(23)30-18-3-12(5-25-20(18)24)16-4-17(28(26-16)6-11-1-2-11)19-14-7-27(8-15(14)19)13-9-29-10-13/h3-5,11,13-15,19,21H,1-2,6-10H2,(H2,24,25)/t14-,15+,19?
InChIKeyWIQMAMHAQGIBLB-RTHVDDQRSA-N
XLogP2.58
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)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-(difluoromethoxy)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-(difluoromethoxy)pyridin-2-amine (CID 90292719) is 5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)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-(difluoromethoxy)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-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(CC3CC3)n2)cc1OC(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-(difluoromethoxy)pyridin-2-amine?
The InChIKey is WIQMAMHAQGIBLB-RTHVDDQRSA-N. The full InChI is InChI=1S/C21H25F2N5O2/c22-21(23)30-18-3-12(5-25-20(18)24)16-4-17(28(26-16)6-11-1-2-11)19-14-7-27(8-15(14)19)13-9-29-10-13/h3-5,11,13-15,19,21H,1-2,6-10H2,(H2,24,25)/t14-,15+,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-(difluoromethoxy)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-(difluoromethoxy)pyridin-2-amine has a molecular weight of 417.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 90292719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).