2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C25H22FN9O — CID 172533435

IUPAC2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(c1ccc(-n2nnc3cccnc32)cc1F)N(c1ncccc1-c1ccn[nH]1)C1CCCNC1
InChIInChI=1S/C25H22FN9O/c26-20-14-16(35-24-22(32-33-35)6-3-12-29-24)7-8-18(20)25(36)34(17-4-1-10-27-15-17)23-19(5-2-11-28-23)21-9-13-30-31-21/h2-3,5-9,11-14,17,27H,1,4,10,15H2,(H,30,31)
InChIKeyFKWQHYJMXCXMHF-UHFFFAOYSA-N
MW483.51 g/mol
LogP3.14
Rot. Bonds5

About 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 172533435) has the molecular formula C25H22FN9O and a molecular weight of 483.51 g/mol. Its IUPAC name is 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID172533435
Molecular FormulaC25H22FN9O
Molecular Weight483.51 g/mol
Exact Mass483.19
IUPAC Name2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(c1ccc(-n2nnc3cccnc32)cc1F)N(c1ncccc1-c1ccn[nH]1)C1CCCNC1
InChIInChI=1S/C25H22FN9O/c26-20-14-16(35-24-22(32-33-35)6-3-12-29-24)7-8-18(20)25(36)34(17-4-1-10-27-15-17)23-19(5-2-11-28-23)21-9-13-30-31-21/h2-3,5-9,11-14,17,27H,1,4,10,15H2,(H,30,31)
InChIKeyFKWQHYJMXCXMHF-UHFFFAOYSA-N
XLogP3.14
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 172533435) is 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is O=C(c1ccc(-n2nnc3cccnc32)cc1F)N(c1ncccc1-c1ccn[nH]1)C1CCCNC1.
What is the InChIKey of 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is FKWQHYJMXCXMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN9O/c26-20-14-16(35-24-22(32-33-35)6-3-12-29-24)7-8-18(20)25(36)34(17-4-1-10-27-15-17)23-19(5-2-11-28-23)21-9-13-30-31-21/h2-3,5-9,11-14,17,27H,1,4,10,15H2,(H,30,31).
What are the key properties of 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 483.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-piperidin-3-yl-N-[3-(1H-pyrazol-5-yl)-2-pyridinyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 172533435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).