6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide

C23H25ClN8O — CID 164767048

IUPAC6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-n3cc4c(n3)CNCC4)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C23H25ClN8O/c1-4-31-14(2)16(10-26-31)12-30(3)22(33)21-18-9-17(24)5-6-19(18)27-23(28-21)32-13-15-7-8-25-11-20(15)29-32/h5-6,9-10,13,25H,4,7-8,11-12H2,1-3H3
InChIKeyHUYZZGSAJPOQBY-UHFFFAOYSA-N
MW464.96 g/mol
LogP2.91
Rot. Bonds5

About 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide

6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide (PubChem CID 164767048) has the molecular formula C23H25ClN8O and a molecular weight of 464.96 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide
PubChem CID164767048
Molecular FormulaC23H25ClN8O
Molecular Weight464.96 g/mol
Exact Mass464.18
IUPAC Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-n3cc4c(n3)CNCC4)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C23H25ClN8O/c1-4-31-14(2)16(10-26-31)12-30(3)22(33)21-18-9-17(24)5-6-19(18)27-23(28-21)32-13-15-7-8-25-11-20(15)29-32/h5-6,9-10,13,25H,4,7-8,11-12H2,1-3H3
InChIKeyHUYZZGSAJPOQBY-UHFFFAOYSA-N
XLogP2.91
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide
CID 164767007
6-chloro-2-(2,3-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767163
6-chloro-2-(3-cyanophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767357
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
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
CID 164766967
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[3-methyl-5-(methylaminomethyl)phenyl]quinazoline-4-carboxamide
CID 164767123
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methoxy-2-pyridinyl)-N-methylquinazoline-4-carboxamide
CID 164767415
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[5-[2-(methylamino)ethoxy]-2-pyridinyl]quinazoline-4-carboxamide
CID 164767059
6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767125
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-[3-methyl-5-[2-(methylamino)ethylamino]phenyl]quinazoline-4-carboxamide
CID 164767331
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide
CID 165041803
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide
CID 167060468

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide (CID 164767048) is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2nc(-n3cc4c(n3)CNCC4)nc3ccc(Cl)cc23)c1C.
What is the InChIKey of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide?
The InChIKey is HUYZZGSAJPOQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O/c1-4-31-14(2)16(10-26-31)12-30(3)22(33)21-18-9-17(24)5-6-19(18)27-23(28-21)32-13-15-7-8-25-11-20(15)29-32/h5-6,9-10,13,25H,4,7-8,11-12H2,1-3H3.
What are the key properties of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide?
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide has a molecular weight of 464.96 g/mol, XLogP of 2.91, 5 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-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 164767048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).