N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide

C20H19F2N7O3 — CID 154654174

IUPACN-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(N3CCC(F)(F)C3)nc2)c1
InChIInChI=1S/C20H19F2N7O3/c1-32-14-6-12(7-23-9-14)18(30)27-15-10-25-28-17(15)19(31)26-13-2-3-16(24-8-13)29-5-4-20(21,22)11-29/h2-3,6-10H,4-5,11H2,1H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyIMEZLHUCWOJFNZ-UHFFFAOYSA-N
MW443.41 g/mol
LogP2.56
Rot. Bonds6

About N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide

N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide (PubChem CID 154654174) has the molecular formula C20H19F2N7O3 and a molecular weight of 443.41 g/mol. Its IUPAC name is N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
PubChem CID154654174
Molecular FormulaC20H19F2N7O3
Molecular Weight443.41 g/mol
Exact Mass443.15
IUPAC NameN-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(N3CCC(F)(F)C3)nc2)c1
InChIInChI=1S/C20H19F2N7O3/c1-32-14-6-12(7-23-9-14)18(30)27-15-10-25-28-17(15)19(31)26-13-2-3-16(24-8-13)29-5-4-20(21,22)11-29/h2-3,6-10H,4-5,11H2,1H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyIMEZLHUCWOJFNZ-UHFFFAOYSA-N
XLogP2.56
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(R)-6-(3-Hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72544445
Methyl 1-(5-((4-(chlorodifluoromethoxy)phenyl)carbamoyl)-3-(1H-pyrazol-5-yl)pyridin-2-yl)pyrrolidine-3-carboxylate
CID 72545853
(R)-6-(3-Hydroxy-3-methylpyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89908440
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 72165227
5-(1H-Pyrazol-5-yl)-6-(pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89906874
(S)-6-(3-Hydroxy-3-methylpyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89907600
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 89908075
N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide
CID 89908076
6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 89908322
6-(Ethyl(2-hydroxyethyl)amino)-5-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89908352
6-(1-Amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-5-(1H-pyrazol-5-yl)nicotinamide
CID 118044762
N-(4-(Chlorodifluoromethoxy)phenyl)-5-(1H-pyrazol-5-yl)-6-(4-(2,2,2-trifluoroethyl)piperazin-1-yl)nicotinamide
CID 118044927

Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
The IUPAC name of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide (CID 154654174) is N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide is COc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(N3CCC(F)(F)C3)nc2)c1.
What is the InChIKey of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
The InChIKey is IMEZLHUCWOJFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7O3/c1-32-14-6-12(7-23-9-14)18(30)27-15-10-25-28-17(15)19(31)26-13-2-3-16(24-8-13)29-5-4-20(21,22)11-29/h2-3,6-10H,4-5,11H2,1H3,(H,25,28)(H,26,31)(H,27,30).
What are the key properties of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide has a molecular weight of 443.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide is sourced from PubChem (CID 154654174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).