N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide

C22H19ClN8O2 — CID 165125548

IUPACN-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nn(-c2cc(Cl)ccc2OC)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C22H19ClN8O2/c1-24-12-20(32)28-21-15-10-26-16(14-11-27-30-7-3-6-25-22(14)30)9-17(15)31(29-21)18-8-13(23)4-5-19(18)33-2/h3-11,24H,12H2,1-2H3,(H,28,29,32)
InChIKeyKTZQFRKFEICFKQ-UHFFFAOYSA-N
MW462.90 g/mol
LogP2.95
Rot. Bonds6

About N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide

N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide (PubChem CID 165125548) has the molecular formula C22H19ClN8O2 and a molecular weight of 462.90 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide
PubChem CID165125548
Molecular FormulaC22H19ClN8O2
Molecular Weight462.90 g/mol
Exact Mass462.13
IUPAC NameN-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nn(-c2cc(Cl)ccc2OC)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C22H19ClN8O2/c1-24-12-20(32)28-21-15-10-26-16(14-11-27-30-7-3-6-25-22(14)30)9-17(15)31(29-21)18-8-13(23)4-5-19(18)33-2/h3-11,24H,12H2,1-2H3,(H,28,29,32)
InChIKeyKTZQFRKFEICFKQ-UHFFFAOYSA-N
XLogP2.95
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide with MolForge

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Related Compounds

[4-chloro-2-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]methanol
CID 170553744
[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
CID 174172126
N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 165125616
N-[2-(dimethylamino)ethyl]-2-[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 171058230
[4-(dimethylamino)oxan-4-yl]methyl N-[1-(6-methoxy-3,4-dihydro-2H-1,4-benzothiazin-7-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 171065228
1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine
CID 171065261
tert-butyl N-[1-[[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl]azetidin-3-yl]carbamate
CID 170648077
1-[2-(difluoromethoxy)-5-methylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
CID 170553727
N-[[2-chloro-5-methoxy-4-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]methanesulfonamide
CID 170648103
[1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
CID 174172786
N-[3-methoxy-4-[3-(2-piperidin-1-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]phenyl]methanesulfonamide
CID 169275520
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide (CID 165125548) is N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1nn(-c2cc(Cl)ccc2OC)c2cc(-c3cnn4cccnc34)ncc12.
What is the InChIKey of N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide?
The InChIKey is KTZQFRKFEICFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O2/c1-24-12-20(32)28-21-15-10-26-16(14-11-27-30-7-3-6-25-22(14)30)9-17(15)31(29-21)18-8-13(23)4-5-19(18)33-2/h3-11,24H,12H2,1-2H3,(H,28,29,32).
What are the key properties of N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide?
N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide has a molecular weight of 462.90 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 165125548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).