2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

C27H25ClFN5O2 — CID 126681690

IUPAC2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccn3)ccc2F)n(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C27H25ClFN5O2/c1-17-14-23(34(33-17)25-10-8-20(28)16-31-25)26(35)32-22-15-19(7-9-21(22)29)27(36,12-11-18-5-6-18)24-4-2-3-13-30-24/h2-4,7-10,13-16,18,36H,5-6,11-12H2,1H3,(H,32,35)
InChIKeyTWEBYDIMPWSRSQ-UHFFFAOYSA-N
MW505.98 g/mol
LogP5.44
Rot. Bonds8

About 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 126681690) has the molecular formula C27H25ClFN5O2 and a molecular weight of 505.98 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
PubChem CID126681690
Molecular FormulaC27H25ClFN5O2
Molecular Weight505.98 g/mol
Exact Mass505.17
IUPAC Name2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccn3)ccc2F)n(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C27H25ClFN5O2/c1-17-14-23(34(33-17)25-10-8-20(28)16-31-25)26(35)32-22-15-19(7-9-21(22)29)27(36,12-11-18-5-6-18)24-4-2-3-13-30-24/h2-4,7-10,13-16,18,36H,5-6,11-12H2,1H3,(H,32,35)
InChIKeyTWEBYDIMPWSRSQ-UHFFFAOYSA-N
XLogP5.44
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.98
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (CID 126681690) is 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccn3)ccc2F)n(-c2ccc(Cl)cn2)n1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is TWEBYDIMPWSRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O2/c1-17-14-23(34(33-17)25-10-8-20(28)16-31-25)26(35)32-22-15-19(7-9-21(22)29)27(36,12-11-18-5-6-18)24-4-2-3-13-30-24/h2-4,7-10,13-16,18,36H,5-6,11-12H2,1H3,(H,32,35).
What are the key properties of 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 505.98 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 126681690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).