N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide

C26H29N7O2 — CID 176837271

IUPACN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)N1CC(C)NCC1C
InChIInChI=1S/C26H29N7O2/c1-16-13-33(17(2)12-27-16)26(34)30-22-10-19-21(11-23(22)35-4)28-15-29-25(19)20-14-32(3)31-24(20)18-8-6-5-7-9-18/h5-11,14-17,27H,12-13H2,1-4H3,(H,30,34)
InChIKeyOEDODXARMCLBIK-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.92
Rot. Bonds4

About N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide

N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide (PubChem CID 176837271) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide
PubChem CID176837271
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)N1CC(C)NCC1C
InChIInChI=1S/C26H29N7O2/c1-16-13-33(17(2)12-27-16)26(34)30-22-10-19-21(11-23(22)35-4)28-15-29-25(19)20-14-32(3)31-24(20)18-8-6-5-7-9-18/h5-11,14-17,27H,12-13H2,1-4H3,(H,30,34)
InChIKeyOEDODXARMCLBIK-UHFFFAOYSA-N
XLogP3.92
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide (CID 176837271) is N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1NC(=O)N1CC(C)NCC1C.
What is the InChIKey of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide?
The InChIKey is OEDODXARMCLBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-16-13-33(17(2)12-27-16)26(34)30-22-10-19-21(11-23(22)35-4)28-15-29-25(19)20-14-32(3)31-24(20)18-8-6-5-7-9-18/h5-11,14-17,27H,12-13H2,1-4H3,(H,30,34).
What are the key properties of N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide?
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 176837271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).