N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide

C21H23N7O2 — CID 167060468

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cncn3C)nc3ccc(O)cc23)c1C
InChIInChI=1S/C21H23N7O2/c1-5-28-13(2)14(9-23-28)11-26(3)21(30)19-16-8-15(29)6-7-17(16)24-20(25-19)18-10-22-12-27(18)4/h6-10,12,29H,5,11H2,1-4H3
InChIKeyPYQPHNYVTTXDAS-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.53
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide (PubChem CID 167060468) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide
PubChem CID167060468
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cncn3C)nc3ccc(O)cc23)c1C
InChIInChI=1S/C21H23N7O2/c1-5-28-13(2)14(9-23-28)11-26(3)21(30)19-16-8-15(29)6-7-17(16)24-20(25-19)18-10-22-12-27(18)4/h6-10,12,29H,5,11H2,1-4H3
InChIKeyPYQPHNYVTTXDAS-UHFFFAOYSA-N
XLogP2.53
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide (CID 167060468) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2nc(-c3cncn3C)nc3ccc(O)cc23)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide?
The InChIKey is PYQPHNYVTTXDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-5-28-13(2)14(9-23-28)11-26(3)21(30)19-16-8-15(29)6-7-17(16)24-20(25-19)18-10-22-12-27(18)4/h6-10,12,29H,5,11H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 167060468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).