5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide

C23H22FN9O — CID 146320221

IUPAC5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1nnc(C2CC2)n1
InChIInChI=1S/C23H22FN9O/c1-13-11-16(24)15(12-18(13)33-30-21(28-31-33)14-8-9-14)23(34)26-19-6-4-5-17(25-19)22-29-27-20-7-2-3-10-32(20)22/h4-6,11-12,14H,2-3,7-10H2,1H3,(H,25,26,34)
InChIKeyLNASMLOVUYYHOP-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.23
Rot. Bonds5

About 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide

5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide (PubChem CID 146320221) has the molecular formula C23H22FN9O and a molecular weight of 459.49 g/mol. Its IUPAC name is 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
PubChem CID146320221
Molecular FormulaC23H22FN9O
Molecular Weight459.49 g/mol
Exact Mass459.19
IUPAC Name5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1nnc(C2CC2)n1
InChIInChI=1S/C23H22FN9O/c1-13-11-16(24)15(12-18(13)33-30-21(28-31-33)14-8-9-14)23(34)26-19-6-4-5-17(25-19)22-29-27-20-7-2-3-10-32(20)22/h4-6,11-12,14H,2-3,7-10H2,1H3,(H,25,26,34)
InChIKeyLNASMLOVUYYHOP-UHFFFAOYSA-N
XLogP3.23
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide (CID 146320221) is 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1nnc(C2CC2)n1.
What is the InChIKey of 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The InChIKey is LNASMLOVUYYHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN9O/c1-13-11-16(24)15(12-18(13)33-30-21(28-31-33)14-8-9-14)23(34)26-19-6-4-5-17(25-19)22-29-27-20-7-2-3-10-32(20)22/h4-6,11-12,14H,2-3,7-10H2,1H3,(H,25,26,34).
What are the key properties of 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide has a molecular weight of 459.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146320221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).