2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide

C25H26N8O2 — CID 167060153

IUPAC2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide
SMILESCCc1ncc(CN(C)C(=O)c2nc(-c3cc(C)c4c(N)n[nH]c4c3)nc3ccc(O)cc23)n1C
InChIInChI=1S/C25H26N8O2/c1-5-20-27-11-15(33(20)4)12-32(3)25(35)22-17-10-16(34)6-7-18(17)28-24(29-22)14-8-13(2)21-19(9-14)30-31-23(21)26/h6-11,34H,5,12H2,1-4H3,(H3,26,30,31)
InChIKeyDYUFJNQDZJJAQU-UHFFFAOYSA-N
MW470.54 g/mol
LogP3.34
Rot. Bonds5

About 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide

2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide (PubChem CID 167060153) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide
PubChem CID167060153
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide
SMILESCCc1ncc(CN(C)C(=O)c2nc(-c3cc(C)c4c(N)n[nH]c4c3)nc3ccc(O)cc23)n1C
InChIInChI=1S/C25H26N8O2/c1-5-20-27-11-15(33(20)4)12-32(3)25(35)22-17-10-16(34)6-7-18(17)28-24(29-22)14-8-13(2)21-19(9-14)30-31-23(21)26/h6-11,34H,5,12H2,1-4H3,(H3,26,30,31)
InChIKeyDYUFJNQDZJJAQU-UHFFFAOYSA-N
XLogP3.34
TPSA138.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide?
The IUPAC name of 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide (CID 167060153) is 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide.
What is the SMILES notation for 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide?
The canonical SMILES for 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide is CCc1ncc(CN(C)C(=O)c2nc(-c3cc(C)c4c(N)n[nH]c4c3)nc3ccc(O)cc23)n1C.
What is the InChIKey of 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide?
The InChIKey is DYUFJNQDZJJAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-5-20-27-11-15(33(20)4)12-32(3)25(35)22-17-10-16(34)6-7-18(17)28-24(29-22)14-8-13(2)21-19(9-14)30-31-23(21)26/h6-11,34H,5,12H2,1-4H3,(H3,26,30,31).
What are the key properties of 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide?
2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide is sourced from PubChem (CID 167060153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).