2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine

C24H21FN8 — CID 167367039

IUPAC2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine
SMILESCc1nc(-c2[nH]ncc2-c2ccc3ncc(-c4nc5c([nH]4)CCNCC5)cc3n2)ccc1F
InChIInChI=1S/C24H21FN8/c1-13-16(25)2-3-21(29-13)23-15(12-28-33-23)17-4-5-18-22(30-17)10-14(11-27-18)24-31-19-6-8-26-9-7-20(19)32-24/h2-5,10-12,26H,6-9H2,1H3,(H,28,33)(H,31,32)
InChIKeyIMDNYVZKMYXZJS-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.61
Rot. Bonds3

About 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine

2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine (PubChem CID 167367039) has the molecular formula C24H21FN8 and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine.

Molecular Properties

Compound Name2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine
PubChem CID167367039
Molecular FormulaC24H21FN8
Molecular Weight440.49 g/mol
Exact Mass440.19
IUPAC Name2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine
SMILESCc1nc(-c2[nH]ncc2-c2ccc3ncc(-c4nc5c([nH]4)CCNCC5)cc3n2)ccc1F
InChIInChI=1S/C24H21FN8/c1-13-16(25)2-3-21(29-13)23-15(12-28-33-23)17-4-5-18-22(30-17)10-14(11-27-18)24-31-19-6-8-26-9-7-20(19)32-24/h2-5,10-12,26H,6-9H2,1H3,(H,28,33)(H,31,32)
InChIKeyIMDNYVZKMYXZJS-UHFFFAOYSA-N
XLogP3.61
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine with MolForge

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Related Compounds

2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
CID 167367152
7-(2,3-dihydro-1H-imidazo[1,2-c]imidazol-5-yl)-2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 167366674
2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)-1,5-naphthyridine
CID 167366510
2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]-1,5-naphthyridine
CID 167366634
7-(5,6-dihydro-4H-imidazo[1,2-c]triazol-3-yl)-2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 167366692
6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine
CID 167367223
2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(1H-pyrrol-2-yl)-1,5-naphthyridine
CID 167367044
N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine
CID 167366792
6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine
CID 167366791
6-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazin-2-amine
CID 167366670
5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one
CID 167367184
2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine
CID 146661723

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine?
The IUPAC name of 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine (CID 167367039) is 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine.
What is the SMILES notation for 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine?
The canonical SMILES for 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine is Cc1nc(-c2[nH]ncc2-c2ccc3ncc(-c4nc5c([nH]4)CCNCC5)cc3n2)ccc1F.
What is the InChIKey of 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine?
The InChIKey is IMDNYVZKMYXZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8/c1-13-16(25)2-3-21(29-13)23-15(12-28-33-23)17-4-5-18-22(30-17)10-14(11-27-18)24-31-19-6-8-26-9-7-20(19)32-24/h2-5,10-12,26H,6-9H2,1H3,(H,28,33)(H,31,32).
What are the key properties of 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine?
2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine has a molecular weight of 440.49 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine is sourced from PubChem (CID 167367039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).