1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C28H37N7O3 — CID 11598832

IUPAC1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2nc(N3CCC(N4CCCC4)CC3)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12
InChIInChI=1S/C28H37N7O3/c1-18(2)38-22-9-7-8-20(16-22)29-28(37)31-27(36)24-17-23-19(3)32-33(4)25(23)30-26(24)35-14-10-21(11-15-35)34-12-5-6-13-34/h7-9,16-18,21H,5-6,10-15H2,1-4H3,(H2,29,31,36,37)
InChIKeyKYBSNKVQLQMFEG-UHFFFAOYSA-N
MW519.65 g/mol
LogP4.09
Rot. Bonds6

About 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11598832) has the molecular formula C28H37N7O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11598832
Molecular FormulaC28H37N7O3
Molecular Weight519.65 g/mol
Exact Mass519.30
IUPAC Name1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2nc(N3CCC(N4CCCC4)CC3)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12
InChIInChI=1S/C28H37N7O3/c1-18(2)38-22-9-7-8-20(16-22)29-28(37)31-27(36)24-17-23-19(3)32-33(4)25(23)30-26(24)35-14-10-21(11-15-35)34-12-5-6-13-34/h7-9,16-18,21H,5-6,10-15H2,1-4H3,(H2,29,31,36,37)
InChIKeyKYBSNKVQLQMFEG-UHFFFAOYSA-N
XLogP4.09
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.65
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-6-(4-piperidin-1-ylpiperidin-1-yl)-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide;hydrochloride
CID 22282152
1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 10109543
4-chloro-1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 1-[1,3-dimethyl-5-[(3-propan-2-yloxyphenyl)carbamoylcarbamoyl]pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate
CID 157188898
N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10179668
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-dimethyl-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
CID 91204338
6-amino-1,3-dimethyl-N-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 39096980
1-ethyl-N-(3-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 39886143
1,3-dimethyl-6-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38034962
1-[3-(difluoromethoxy)phenyl]-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356536
1,3,6-trimethyl-N-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36998675
6-[(3-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 50784104
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-N-(3-propan-2-yloxyphenyl)formamide
CID 22252442

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 11598832) is 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2nc(N3CCC(N4CCCC4)CC3)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is KYBSNKVQLQMFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O3/c1-18(2)38-22-9-7-8-20(16-22)29-28(37)31-27(36)24-17-23-19(3)32-33(4)25(23)30-26(24)35-14-10-21(11-15-35)34-12-5-6-13-34/h7-9,16-18,21H,5-6,10-15H2,1-4H3,(H2,29,31,36,37).
What are the key properties of 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 519.65 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11598832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).