1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol

C24H25N5O2 — CID 169231046

IUPAC1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N1CCCC(O)C1
InChIInChI=1S/C24H25N5O2/c1-28-14-19(23(27-28)16-7-4-3-5-8-16)24-18-11-21(29-10-6-9-17(30)13-29)22(31-2)12-20(18)25-15-26-24/h3-5,7-8,11-12,14-15,17,30H,6,9-10,13H2,1-2H3
InChIKeyMIDCQNXOBFWETH-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.67
Rot. Bonds4

About 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol

1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol (PubChem CID 169231046) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol
PubChem CID169231046
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N1CCCC(O)C1
InChIInChI=1S/C24H25N5O2/c1-28-14-19(23(27-28)16-7-4-3-5-8-16)24-18-11-21(29-10-6-9-17(30)13-29)22(31-2)12-20(18)25-15-26-24/h3-5,7-8,11-12,14-15,17,30H,6,9-10,13H2,1-2H3
InChIKeyMIDCQNXOBFWETH-UHFFFAOYSA-N
XLogP3.67
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine
CID 169231594
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124
6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231902
[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] (2S)-2,4-dimethylpiperazine-1-carboxylate;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] 2,4-dimethylpiperazine-1-carboxylate
CID 175943480
cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
CID 169231672
methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate
CID 169231985
(3S,4S)-3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170162449
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide
CID 176837271
6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231449
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide
CID 169231731
tert-butyl 4-[[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]carbamoyl]-2-methylpiperazine-1-carboxylate
CID 169231303

Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol?
The IUPAC name of 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol (CID 169231046) is 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol.
What is the SMILES notation for 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol?
The canonical SMILES for 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N1CCCC(O)C1.
What is the InChIKey of 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol?
The InChIKey is MIDCQNXOBFWETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28-14-19(23(27-28)16-7-4-3-5-8-16)24-18-11-21(29-10-6-9-17(30)13-29)22(31-2)12-20(18)25-15-26-24/h3-5,7-8,11-12,14-15,17,30H,6,9-10,13H2,1-2H3.
What are the key properties of 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol?
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol has a molecular weight of 415.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol is sourced from PubChem (CID 169231046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).