3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C18H22F2N4O2 — CID 155551908

IUPAC3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2c(c(COc3cc(F)cc(F)c3)nn2C)C1
InChIInChI=1S/C18H22F2N4O2/c1-11(2)21-18(25)24-5-4-17-15(9-24)16(22-23(17)3)10-26-14-7-12(19)6-13(20)8-14/h6-8,11H,4-5,9-10H2,1-3H3,(H,21,25)
InChIKeyPCNFAMHLBRQKPJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.75
Rot. Bonds4

About 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 155551908) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID155551908
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2c(c(COc3cc(F)cc(F)c3)nn2C)C1
InChIInChI=1S/C18H22F2N4O2/c1-11(2)21-18(25)24-5-4-17-15(9-24)16(22-23(17)3)10-26-14-7-12(19)6-13(20)8-14/h6-8,11H,4-5,9-10H2,1-3H3,(H,21,25)
InChIKeyPCNFAMHLBRQKPJ-UHFFFAOYSA-N
XLogP2.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 155551908) is 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CC(C)NC(=O)N1CCc2c(c(COc3cc(F)cc(F)c3)nn2C)C1.
What is the InChIKey of 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PCNFAMHLBRQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-11(2)21-18(25)24-5-4-17-15(9-24)16(22-23(17)3)10-26-14-7-12(19)6-13(20)8-14/h6-8,11H,4-5,9-10H2,1-3H3,(H,21,25).
What are the key properties of 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenoxy)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 155551908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).