[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone

C28H28N6O2 — CID 26342576

IUPAC[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CCCC[C@@H]4c4cccnc4)c3C)nc1-2
InChIInChI=1S/C28H28N6O2/c1-18-24(27(35)33-13-4-3-7-25(33)20-6-5-12-29-15-20)17-31-34(18)28-30-16-21-9-8-19-14-22(36-2)10-11-23(19)26(21)32-28/h5-6,10-12,14-17,25H,3-4,7-9,13H2,1-2H3/t25-/m1/s1
InChIKeyNWUZKLADPYSMRX-RUZDIDTESA-N
MW480.57 g/mol
LogP4.51
Rot. Bonds4

About [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone

[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone (PubChem CID 26342576) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
PubChem CID26342576
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CCCC[C@@H]4c4cccnc4)c3C)nc1-2
InChIInChI=1S/C28H28N6O2/c1-18-24(27(35)33-13-4-3-7-25(33)20-6-5-12-29-15-20)17-31-34(18)28-30-16-21-9-8-19-14-22(36-2)10-11-23(19)26(21)32-28/h5-6,10-12,14-17,25H,3-4,7-9,13H2,1-2H3/t25-/m1/s1
InChIKeyNWUZKLADPYSMRX-RUZDIDTESA-N
XLogP4.51
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45167259
[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 26348088
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072
1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 166613247
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7070196
5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42398966
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
N-(4-methoxybenzoyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 23738906
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 39678742
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 42323991
[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 26361627
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145859

Frequently Asked Questions

What is the IUPAC name of [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The IUPAC name of [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone (CID 26342576) is [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone is COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CCCC[C@@H]4c4cccnc4)c3C)nc1-2.
What is the InChIKey of [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The InChIKey is NWUZKLADPYSMRX-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28N6O2/c1-18-24(27(35)33-13-4-3-7-25(33)20-6-5-12-29-15-20)17-31-34(18)28-30-16-21-9-8-19-14-22(36-2)10-11-23(19)26(21)32-28/h5-6,10-12,14-17,25H,3-4,7-9,13H2,1-2H3/t25-/m1/s1.
What are the key properties of [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone?
[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone has a molecular weight of 480.57 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 26342576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).