N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C21H26F2N4O2 — CID 26137951

IUPACN-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)c2c1CCN(Cc1ccc(OC(F)F)cc1)C2
InChIInChI=1S/C21H26F2N4O2/c1-26-18-10-11-27(12-14-6-8-16(9-7-14)29-21(22)23)13-17(18)19(25-26)20(28)24-15-4-2-3-5-15/h6-9,15,21H,2-5,10-13H2,1H3,(H,24,28)
InChIKeyLXWDIGJXIFQXBF-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.25
Rot. Bonds6

About N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26137951) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26137951
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC NameN-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)c2c1CCN(Cc1ccc(OC(F)F)cc1)C2
InChIInChI=1S/C21H26F2N4O2/c1-26-18-10-11-27(12-14-6-8-16(9-7-14)29-21(22)23)13-17(18)19(25-26)20(28)24-15-4-2-3-5-15/h6-9,15,21H,2-5,10-13H2,1H3,(H,24,28)
InChIKeyLXWDIGJXIFQXBF-UHFFFAOYSA-N
XLogP3.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26232738
N-cyclopentyl-1-methyl-5-(4-piperidin-1-ylbenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228822
ethyl 5-[(4-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26140595
N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143141
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
1-methyl-5-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 50831030
N-cyclopentyl-1-(2-methylpropyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26215082
N-benzyl-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26223552
11-benzyl-N-cycloheptyl-2-methyl-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 53053659
4-(difluoromethoxy)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058915
5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole
CID 146067008
5-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26132913

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26137951) is N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NC2CCCC2)c2c1CCN(Cc1ccc(OC(F)F)cc1)C2.
What is the InChIKey of N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is LXWDIGJXIFQXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2/c1-26-18-10-11-27(12-14-6-8-16(9-7-14)29-21(22)23)13-17(18)19(25-26)20(28)24-15-4-2-3-5-15/h6-9,15,21H,2-5,10-13H2,1H3,(H,24,28).
What are the key properties of N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26137951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).