1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide

C17H19F2N5O — CID 142458428

IUPAC1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide
SMILESCc1nc(N2CC3CC3C2)ccc1Cn1cc(C(N)=O)c(C(F)F)n1
InChIInChI=1S/C17H19F2N5O/c1-9-10(2-3-14(21-9)23-5-11-4-12(11)6-23)7-24-8-13(17(20)25)15(22-24)16(18)19/h2-3,8,11-12,16H,4-7H2,1H3,(H2,20,25)
InChIKeyGPGIPVPAYYEGGE-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.13
Rot. Bonds5

About 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide (PubChem CID 142458428) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide
PubChem CID142458428
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide
SMILESCc1nc(N2CC3CC3C2)ccc1Cn1cc(C(N)=O)c(C(F)F)n1
InChIInChI=1S/C17H19F2N5O/c1-9-10(2-3-14(21-9)23-5-11-4-12(11)6-23)7-24-8-13(17(20)25)15(22-24)16(18)19/h2-3,8,11-12,16H,4-7H2,1H3,(H2,20,25)
InChIKeyGPGIPVPAYYEGGE-UHFFFAOYSA-N
XLogP2.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide (CID 142458428) is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide is Cc1nc(N2CC3CC3C2)ccc1Cn1cc(C(N)=O)c(C(F)F)n1.
What is the InChIKey of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide?
The InChIKey is GPGIPVPAYYEGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c1-9-10(2-3-14(21-9)23-5-11-4-12(11)6-23)7-24-8-13(17(20)25)15(22-24)16(18)19/h2-3,8,11-12,16H,4-7H2,1H3,(H2,20,25).
What are the key properties of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide?
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 142458428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).