5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide

C25H25FN8O2 — CID 153276696

IUPAC5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H]3CCC[C@@H]3O)n2)cc1-c1cnn(C2CC2)c1
InChIInChI=1S/C25H25FN8O2/c1-14-10-19(26)18(11-17(14)15-12-27-33(13-15)16-8-9-16)25(36)29-23-7-2-4-20(28-23)24-30-31-32-34(24)21-5-3-6-22(21)35/h2,4,7,10-13,16,21-22,35H,3,5-6,8-9H2,1H3,(H,28,29,36)/t21-,22+/m1/s1
InChIKeyFNCTYPFAOBFRPH-YADHBBJMSA-N
MW488.53 g/mol
LogP3.72
Rot. Bonds6

About 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide

5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 153276696) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound Name5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
PubChem CID153276696
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H]3CCC[C@@H]3O)n2)cc1-c1cnn(C2CC2)c1
InChIInChI=1S/C25H25FN8O2/c1-14-10-19(26)18(11-17(14)15-12-27-33(13-15)16-8-9-16)25(36)29-23-7-2-4-20(28-23)24-30-31-32-34(24)21-5-3-6-22(21)35/h2,4,7,10-13,16,21-22,35H,3,5-6,8-9H2,1H3,(H,28,29,36)/t21-,22+/m1/s1
InChIKeyFNCTYPFAOBFRPH-YADHBBJMSA-N
XLogP3.72
TPSA123.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide (CID 153276696) is 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H]3CCC[C@@H]3O)n2)cc1-c1cnn(C2CC2)c1.
What is the InChIKey of 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is FNCTYPFAOBFRPH-YADHBBJMSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-14-10-19(26)18(11-17(14)15-12-27-33(13-15)16-8-9-16)25(36)29-23-7-2-4-20(28-23)24-30-31-32-34(24)21-5-3-6-22(21)35/h2,4,7,10-13,16,21-22,35H,3,5-6,8-9H2,1H3,(H,28,29,36)/t21-,22+/m1/s1.
What are the key properties of 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 488.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-N-[6-[1-[(1R,2S)-2-hydroxycyclopentyl]tetrazol-5-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 153276696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).