1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide

C26H32N6O2 — CID 45167538

IUPAC1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)CC4CCCN(C)C4)c3C)ncc1CC2
InChIInChI=1S/C26H32N6O2/c1-17-23(25(33)31(3)16-18-6-5-11-30(2)15-18)14-28-32(17)26-27-13-20-8-7-19-9-10-21(34-4)12-22(19)24(20)29-26/h9-10,12-14,18H,5-8,11,15-16H2,1-4H3
InChIKeyTZFNWWIYOXYTTG-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.16
Rot. Bonds5

About 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide

1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 45167538) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID45167538
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)CC4CCCN(C)C4)c3C)ncc1CC2
InChIInChI=1S/C26H32N6O2/c1-17-23(25(33)31(3)16-18-6-5-11-30(2)15-18)14-28-32(17)26-27-13-20-8-7-19-9-10-21(34-4)12-22(19)24(20)29-26/h9-10,12-14,18H,5-8,11,15-16H2,1-4H3
InChIKeyTZFNWWIYOXYTTG-UHFFFAOYSA-N
XLogP3.16
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

[1-Benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 16298601
3-(4-methoxyphenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16457439
(3-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 162659240
US8735386, III-53
CID 68272283
US11186582, Example 526
CID 118471075
2-[4-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049121
US11613527, Example 6
CID 162779154
US11613527, Example 12
CID 162779175
US11613527, Example 4
CID 162779180
US11613527, Example 29
CID 162779191
1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide
CID 42419051
5-cyclopropyl-N-[1-(3-isoxazolyl)ethyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
CID 45166650

Frequently Asked Questions

What is the IUPAC name of 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide (CID 45167538) is 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide is COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)CC4CCCN(C)C4)c3C)ncc1CC2.
What is the InChIKey of 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is TZFNWWIYOXYTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-17-23(25(33)31(3)16-18-6-5-11-30(2)15-18)14-28-32(17)26-27-13-20-8-7-19-9-10-21(34-4)12-22(19)24(20)29-26/h9-10,12-14,18H,5-8,11,15-16H2,1-4H3.
What are the key properties of 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide?
1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 45167538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).