2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine

C20H25F2N5O — CID 151713873

IUPAC2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cc(Cn2cc3c(NCC(C)C)nccc3n2)ncc1OCC(C)(F)F
InChIInChI=1S/C20H25F2N5O/c1-13(2)8-25-19-16-11-27(26-17(16)5-6-23-19)10-15-7-14(3)18(9-24-15)28-12-20(4,21)22/h5-7,9,11,13H,8,10,12H2,1-4H3,(H,23,25)
InChIKeyRHCXDFMUKODEHO-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.28
Rot. Bonds8

About 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine

2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 151713873) has the molecular formula C20H25F2N5O and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine
PubChem CID151713873
Molecular FormulaC20H25F2N5O
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cc(Cn2cc3c(NCC(C)C)nccc3n2)ncc1OCC(C)(F)F
InChIInChI=1S/C20H25F2N5O/c1-13(2)8-25-19-16-11-27(26-17(16)5-6-23-19)10-15-7-14(3)18(9-24-15)28-12-20(4,21)22/h5-7,9,11,13H,8,10,12H2,1-4H3,(H,23,25)
InChIKeyRHCXDFMUKODEHO-UHFFFAOYSA-N
XLogP4.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine (CID 151713873) is 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine is Cc1cc(Cn2cc3c(NCC(C)C)nccc3n2)ncc1OCC(C)(F)F.
What is the InChIKey of 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is RHCXDFMUKODEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O/c1-13(2)8-25-19-16-11-27(26-17(16)5-6-23-19)10-15-7-14(3)18(9-24-15)28-12-20(4,21)22/h5-7,9,11,13H,8,10,12H2,1-4H3,(H,23,25).
What are the key properties of 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine?
2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 389.45 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 151713873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).