N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide

C25H23F2N7O2 — CID 156811192

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cncc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1
InChIInChI=1S/C25H23F2N7O2/c26-25(27)4-7-33(8-5-25)24(36)18-9-16-3-6-34(22(16)29-13-18)19-10-17(12-28-14-19)23(35)30-21-11-20(31-32-21)15-1-2-15/h3,6,9-15H,1-2,4-5,7-8H2,(H2,30,31,32,35)
InChIKeyOLXIDRLYJLTYGE-UHFFFAOYSA-N
MW491.50 g/mol
LogP4.14
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide (PubChem CID 156811192) has the molecular formula C25H23F2N7O2 and a molecular weight of 491.50 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
PubChem CID156811192
Molecular FormulaC25H23F2N7O2
Molecular Weight491.50 g/mol
Exact Mass491.19
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cncc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1
InChIInChI=1S/C25H23F2N7O2/c26-25(27)4-7-33(8-5-25)24(36)18-9-16-3-6-34(22(16)29-13-18)19-10-17(12-28-14-19)23(35)30-21-11-20(31-32-21)15-1-2-15/h3,6,9-15H,1-2,4-5,7-8H2,(H2,30,31,32,35)
InChIKeyOLXIDRLYJLTYGE-UHFFFAOYSA-N
XLogP4.14
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide (CID 156811192) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide is O=C(Nc1cc(C2CC2)[nH]n1)c1cncc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?
The InChIKey is OLXIDRLYJLTYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O2/c26-25(27)4-7-33(8-5-25)24(36)18-9-16-3-6-34(22(16)29-13-18)19-10-17(12-28-14-19)23(35)30-21-11-20(31-32-21)15-1-2-15/h3,6,9-15H,1-2,4-5,7-8H2,(H2,30,31,32,35).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide has a molecular weight of 491.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156811192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).