N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide

C27H23FN8O2 — CID 146282508

IUPACN-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
SMILESCCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccncc2)nc1
InChIInChI=1S/C27H23FN8O2/c1-2-38-20-3-4-22(31-15-20)26-35-34-25(36(26)19-5-8-29-9-6-19)16-11-18(12-16)33-27(37)21-7-10-30-23-13-17(28)14-32-24(21)23/h3-10,13-16,18H,2,11-12H2,1H3,(H,33,37)
InChIKeyUBZCKAUIEYEKDQ-UHFFFAOYSA-N
MW510.53 g/mol
LogP3.88
Rot. Bonds7

About N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide

N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide (PubChem CID 146282508) has the molecular formula C27H23FN8O2 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
PubChem CID146282508
Molecular FormulaC27H23FN8O2
Molecular Weight510.53 g/mol
Exact Mass510.19
IUPAC NameN-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
SMILESCCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccncc2)nc1
InChIInChI=1S/C27H23FN8O2/c1-2-38-20-3-4-22(31-15-20)26-35-34-25(36(26)19-5-8-29-9-6-19)16-11-18(12-16)33-27(37)21-7-10-30-23-13-17(28)14-32-24(21)23/h3-10,13-16,18H,2,11-12H2,1H3,(H,33,37)
InChIKeyUBZCKAUIEYEKDQ-UHFFFAOYSA-N
XLogP3.88
TPSA120.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
The IUPAC name of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide (CID 146282508) is N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide is CCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccncc2)nc1.
What is the InChIKey of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
The InChIKey is UBZCKAUIEYEKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8O2/c1-2-38-20-3-4-22(31-15-20)26-35-34-25(36(26)19-5-8-29-9-6-19)16-11-18(12-16)33-27(37)21-7-10-30-23-13-17(28)14-32-24(21)23/h3-10,13-16,18H,2,11-12H2,1H3,(H,33,37).
What are the key properties of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 146282508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).