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

C19H21ClFN5O3 — CID 53066928

IUPACN-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)Nc1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C19H21ClFN5O3/c1-24-16-4-5-26(19(28)22-12-2-3-15(21)14(20)10-12)11-13(16)17(23-24)18(27)25-6-8-29-9-7-25/h2-3,10H,4-9,11H2,1H3,(H,22,28)
InChIKeySZZGSFSZKXCOKY-UHFFFAOYSA-N
MW421.86 g/mol
LogP2.28
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53066928) has the molecular formula C19H21ClFN5O3 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53066928
Molecular FormulaC19H21ClFN5O3
Molecular Weight421.86 g/mol
Exact Mass421.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)Nc1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C19H21ClFN5O3/c1-24-16-4-5-26(19(28)22-12-2-3-15(21)14(20)10-12)11-13(16)17(23-24)18(27)25-6-8-29-9-7-25/h2-3,10H,4-9,11H2,1H3,(H,22,28)
InChIKeySZZGSFSZKXCOKY-UHFFFAOYSA-N
XLogP2.28
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066939
1-methyl-N-(3-methylsulfanylphenyl)-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066842
methyl 2-[[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 53066967
N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53018048
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
methyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-12-carboxylate
CID 145435046
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066814
12-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5-carboxylic acid
CID 145434948
N-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018252
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365604

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53066928) is N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)Nc1ccc(F)c(Cl)c1)C2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is SZZGSFSZKXCOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O3/c1-24-16-4-5-26(19(28)22-12-2-3-15(21)14(20)10-12)11-13(16)17(23-24)18(27)25-6-8-29-9-7-25/h2-3,10H,4-9,11H2,1H3,(H,22,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 421.86 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53066928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).