6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine

C27H32FN7 — CID 167367223

IUPAC6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine
SMILESCc1nc(-c2[nH]ncc2-c2ccc3ncc(NCCN4CCN(C(C)C)CC4)cc3c2)ccc1F
InChIInChI=1S/C27H32FN7/c1-18(2)35-12-10-34(11-13-35)9-8-29-22-15-21-14-20(4-6-25(21)30-16-22)23-17-31-33-27(23)26-7-5-24(28)19(3)32-26/h4-7,14-18,29H,8-13H2,1-3H3,(H,31,33)
InChIKeyPOLDPJZQJBSXFI-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.57
Rot. Bonds7

About 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine

6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine (PubChem CID 167367223) has the molecular formula C27H32FN7 and a molecular weight of 473.60 g/mol. Its IUPAC name is 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine.

Molecular Properties

Compound Name6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine
PubChem CID167367223
Molecular FormulaC27H32FN7
Molecular Weight473.60 g/mol
Exact Mass473.27
IUPAC Name6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine
SMILESCc1nc(-c2[nH]ncc2-c2ccc3ncc(NCCN4CCN(C(C)C)CC4)cc3c2)ccc1F
InChIInChI=1S/C27H32FN7/c1-18(2)35-12-10-34(11-13-35)9-8-29-22-15-21-14-20(4-6-25(21)30-16-22)23-17-31-33-27(23)26-7-5-24(28)19(3)32-26/h4-7,14-18,29H,8-13H2,1-3H3,(H,31,33)
InChIKeyPOLDPJZQJBSXFI-UHFFFAOYSA-N
XLogP4.57
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane
CID 156743919
N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 167366906
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine
CID 146661817
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 22037335
2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine
CID 146661723
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
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
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
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
N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine
CID 167366616
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

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine?
The IUPAC name of 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) is 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine.
What is the SMILES notation for 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine?
The canonical SMILES for 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine is Cc1nc(-c2[nH]ncc2-c2ccc3ncc(NCCN4CCN(C(C)C)CC4)cc3c2)ccc1F.
What is the InChIKey of 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine?
The InChIKey is POLDPJZQJBSXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7/c1-18(2)35-12-10-34(11-13-35)9-8-29-22-15-21-14-20(4-6-25(21)30-16-22)23-17-31-33-27(23)26-7-5-24(28)19(3)32-26/h4-7,14-18,29H,8-13H2,1-3H3,(H,31,33).
What are the key properties of 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine?
6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine has a molecular weight of 473.60 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine is sourced from PubChem (CID 167367223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).