6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline

C25H31ClFN7O — CID 155683685

IUPAC6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline
SMILESCc1[nH]ncc1-c1c(Cl)cc2c(N3CCC4(CC3)CNC4)nc(OC3CCN(C)CC3)nc2c1F
InChIInChI=1S/C25H31ClFN7O/c1-15-18(12-29-32-15)20-19(26)11-17-22(21(20)27)30-24(35-16-3-7-33(2)8-4-16)31-23(17)34-9-5-25(6-10-34)13-28-14-25/h11-12,16,28H,3-10,13-14H2,1-2H3,(H,29,32)
InChIKeyHKBYVJLJWWLBLO-UHFFFAOYSA-N
MW500.02 g/mol
LogP3.78
Rot. Bonds4

About 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline

6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline (PubChem CID 155683685) has the molecular formula C25H31ClFN7O and a molecular weight of 500.02 g/mol. Its IUPAC name is 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline
PubChem CID155683685
Molecular FormulaC25H31ClFN7O
Molecular Weight500.02 g/mol
Exact Mass499.23
IUPAC Name6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline
SMILESCc1[nH]ncc1-c1c(Cl)cc2c(N3CCC4(CC3)CNC4)nc(OC3CCN(C)CC3)nc2c1F
InChIInChI=1S/C25H31ClFN7O/c1-15-18(12-29-32-15)20-19(26)11-17-22(21(20)27)30-24(35-16-3-7-33(2)8-4-16)31-23(17)34-9-5-25(6-10-34)13-28-14-25/h11-12,16,28H,3-10,13-14H2,1-2H3,(H,29,32)
InChIKeyHKBYVJLJWWLBLO-UHFFFAOYSA-N
XLogP3.78
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline with MolForge

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Related Compounds

6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline
CID 155683750
6-chloro-4-(2,6-diazaspiro[3.4]octan-6-yl)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
CID 155682350
1-[7-[6-chloro-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(4-methyl-3-pyridinyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 155683701
1-[7-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 155683704
tert-butyl 7-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 175930531
tert-butyl 6-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 155683753
6-chloro-8-cyclobutyloxy-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-4-piperazin-1-ylquinazoline
CID 172825229
1-[4-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 167613274
tert-butyl 7-[7-bromo-8-fluoro-6-methyl-2-(1-methylazepan-4-yl)oxyquinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 166832473
1-[7-[6-chloro-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 146642462
6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline
CID 139520944
6-chloro-7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(2,3,6,7-tetrahydroazepin-1-yl)quinazoline
CID 176991873

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline?
The IUPAC name of 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline (CID 155683685) is 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline.
What is the SMILES notation for 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline?
The canonical SMILES for 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline is Cc1[nH]ncc1-c1c(Cl)cc2c(N3CCC4(CC3)CNC4)nc(OC3CCN(C)CC3)nc2c1F.
What is the InChIKey of 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline?
The InChIKey is HKBYVJLJWWLBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN7O/c1-15-18(12-29-32-15)20-19(26)11-17-22(21(20)27)30-24(35-16-3-7-33(2)8-4-16)31-23(17)34-9-5-25(6-10-34)13-28-14-25/h11-12,16,28H,3-10,13-14H2,1-2H3,(H,29,32).
What are the key properties of 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline?
6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline has a molecular weight of 500.02 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline is sourced from PubChem (CID 155683685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).