N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C22H24ClN7O3 — CID 10227066

IUPACN-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)c(Cl)c3)cc12
InChIInChI=1S/C22H24ClN7O3/c1-13-17-10-14(12-24-19(17)29(3)27-13)20(31)26-22(33)25-15-4-5-16(18(23)11-15)21(32)30-8-6-28(2)7-9-30/h4-5,10-12H,6-9H2,1-3H3,(H2,25,26,31,33)
InChIKeyNZLKMILRQJJDNT-UHFFFAOYSA-N
MW469.93 g/mol
LogP2.28
Rot. Bonds3

About N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 10227066) has the molecular formula C22H24ClN7O3 and a molecular weight of 469.93 g/mol. Its IUPAC name is N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID10227066
Molecular FormulaC22H24ClN7O3
Molecular Weight469.93 g/mol
Exact Mass469.16
IUPAC NameN-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)c(Cl)c3)cc12
InChIInChI=1S/C22H24ClN7O3/c1-13-17-10-14(12-24-19(17)29(3)27-13)20(31)26-22(33)25-15-4-5-16(18(23)11-15)21(32)30-8-6-28(2)7-9-30/h4-5,10-12H,6-9H2,1-3H3,(H2,25,26,31,33)
InChIKeyNZLKMILRQJJDNT-UHFFFAOYSA-N
XLogP2.28
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-chloro-4-(morpholine-4-carbonyl)phenyl]carbamoyl]-1,3-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 10280984
N-[[3-chloro-4-(morpholine-4-carbonyl)phenyl]carbamoyl]-1,3-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyrazin-4-ium-5-carboxamide
CID 59119300
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 10109543
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 100619755
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78889380
N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 31339064
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
sodium;2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)carbamoylamino]-2-(trifluoromethyl)phenoxy]acetate;ethyl 2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)carbamoylamino]-2-(trifluoromethyl)phenoxy]acetate
CID 158718127
1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917104
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 10227066) is N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)c(Cl)c3)cc12.
What is the InChIKey of N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is NZLKMILRQJJDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O3/c1-13-17-10-14(12-24-19(17)29(3)27-13)20(31)26-22(33)25-15-4-5-16(18(23)11-15)21(32)30-8-6-28(2)7-9-30/h4-5,10-12H,6-9H2,1-3H3,(H2,25,26,31,33).
What are the key properties of N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10227066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).