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

C18H24FN5O — CID 134071733

IUPAC3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
SMILESCN(C)Cc1nn(C)c2c1CCN(C(=O)NCc1cccc(F)c1)C2
InChIInChI=1S/C18H24FN5O/c1-22(2)11-16-15-7-8-24(12-17(15)23(3)21-16)18(25)20-10-13-5-4-6-14(19)9-13/h4-6,9H,7-8,10-12H2,1-3H3,(H,20,25)
InChIKeyYDEPGHGFASWYIQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.89
Rot. Bonds4

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

3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide (PubChem CID 134071733) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
PubChem CID134071733
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
SMILESCN(C)Cc1nn(C)c2c1CCN(C(=O)NCc1cccc(F)c1)C2
InChIInChI=1S/C18H24FN5O/c1-22(2)11-16-15-7-8-24(12-17(15)23(3)21-16)18(25)20-10-13-5-4-6-14(19)9-13/h4-6,9H,7-8,10-12H2,1-3H3,(H,20,25)
InChIKeyYDEPGHGFASWYIQ-UHFFFAOYSA-N
XLogP1.89
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]amino]acetate
CID 53018336
3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018328
N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018360
N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 154688196
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 46391559
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CID 91769208
2-[4-[(3-fluorophenyl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 61196137
2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 91772570
4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 52581037
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896394
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide (CID 134071733) is 3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide is CN(C)Cc1nn(C)c2c1CCN(C(=O)NCc1cccc(F)c1)C2.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide?
The InChIKey is YDEPGHGFASWYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-22(2)11-16-15-7-8-24(12-17(15)23(3)21-16)18(25)20-10-13-5-4-6-14(19)9-13/h4-6,9H,7-8,10-12H2,1-3H3,(H,20,25).
What are the key properties of 3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide?
3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 134071733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).