N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C18H12ClF2N5O2 — CID 142427478

IUPACN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)c1cncc2[nH]ccc12
InChIInChI=1S/C18H12ClF2N5O2/c19-9-1-2-15(28-18(20)21)11(5-9)16-14(8-24-26-16)25-17(27)12-6-22-7-13-10(12)3-4-23-13/h1-8,18,23H,(H,24,26)(H,25,27)
InChIKeyJDOWKDDKHZNFQT-UHFFFAOYSA-N
MW403.78 g/mol
LogP4.46
Rot. Bonds5

About N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 142427478) has the molecular formula C18H12ClF2N5O2 and a molecular weight of 403.78 g/mol. Its IUPAC name is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID142427478
Molecular FormulaC18H12ClF2N5O2
Molecular Weight403.78 g/mol
Exact Mass403.06
IUPAC NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)c1cncc2[nH]ccc12
InChIInChI=1S/C18H12ClF2N5O2/c19-9-1-2-15(28-18(20)21)11(5-9)16-14(8-24-26-16)25-17(27)12-6-22-7-13-10(12)3-4-23-13/h1-8,18,23H,(H,24,26)(H,25,27)
InChIKeyJDOWKDDKHZNFQT-UHFFFAOYSA-N
XLogP4.46
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.78
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 142427478) is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is O=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)c1cncc2[nH]ccc12.
What is the InChIKey of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is JDOWKDDKHZNFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N5O2/c19-9-1-2-15(28-18(20)21)11(5-9)16-14(8-24-26-16)25-17(27)12-6-22-7-13-10(12)3-4-23-13/h1-8,18,23H,(H,24,26)(H,25,27).
What are the key properties of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 403.78 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 142427478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).