6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide

C23H25ClN8O2 — CID 164767077

IUPAC6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cc(C(=O)NC)nn3C)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C23H25ClN8O2/c1-6-32-13(2)14(11-26-32)12-30(4)23(34)20-16-9-15(24)7-8-17(16)27-21(28-20)19-10-18(22(33)25-3)29-31(19)5/h7-11H,6,12H2,1-5H3,(H,25,33)
InChIKeyOPPUHMYJXDOQFQ-UHFFFAOYSA-N
MW480.96 g/mol
LogP2.84
Rot. Bonds6

About 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide

6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide (PubChem CID 164767077) has the molecular formula C23H25ClN8O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide
PubChem CID164767077
Molecular FormulaC23H25ClN8O2
Molecular Weight480.96 g/mol
Exact Mass480.18
IUPAC Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cc(C(=O)NC)nn3C)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C23H25ClN8O2/c1-6-32-13(2)14(11-26-32)12-30(4)23(34)20-16-9-15(24)7-8-17(16)27-21(28-20)19-10-18(22(33)25-3)29-31(19)5/h7-11H,6,12H2,1-5H3,(H,25,33)
InChIKeyOPPUHMYJXDOQFQ-UHFFFAOYSA-N
XLogP2.84
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide (CID 164767077) is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2nc(-c3cc(C(=O)NC)nn3C)nc3ccc(Cl)cc23)c1C.
What is the InChIKey of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide?
The InChIKey is OPPUHMYJXDOQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O2/c1-6-32-13(2)14(11-26-32)12-30(4)23(34)20-16-9-15(24)7-8-17(16)27-21(28-20)19-10-18(22(33)25-3)29-31(19)5/h7-11H,6,12H2,1-5H3,(H,25,33).
What are the key properties of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide?
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[1-methyl-3-(methylcarbamoyl)pyrazol-5-yl]quinazoline-4-carboxamide is sourced from PubChem (CID 164767077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).