1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide

C17H21N7O2 — CID 130284744

IUPAC1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCCCC2N)nc1Nc1cnc2c(c1)CNC2=O
InChIInChI=1S/C17H21N7O2/c18-12-3-1-2-4-13(12)24-8-11(15(19)25)16(23-24)22-10-5-9-6-21-17(26)14(9)20-7-10/h5,7-8,12-13H,1-4,6,18H2,(H2,19,25)(H,21,26)(H,22,23)
InChIKeyAMYURBFJIPKCQO-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.81
Rot. Bonds4

About 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide

1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide (PubChem CID 130284744) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide
PubChem CID130284744
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCCCC2N)nc1Nc1cnc2c(c1)CNC2=O
InChIInChI=1S/C17H21N7O2/c18-12-3-1-2-4-13(12)24-8-11(15(19)25)16(23-24)22-10-5-9-6-21-17(26)14(9)20-7-10/h5,7-8,12-13H,1-4,6,18H2,(H2,19,25)(H,21,26)(H,22,23)
InChIKeyAMYURBFJIPKCQO-UHFFFAOYSA-N
XLogP0.81
TPSA140.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 89463355
1-[(1S,2S)-2-cyanocyclohexyl]-3-[(5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 90355888
3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide
CID 130284430
1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide
CID 123527862
1-[(2S,4S)-4-amino-2-cyanocyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 90367381
1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide
CID 130285533
1-[(1S,2S)-2-methylcyclohexyl]-3-[[6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]amino]pyrazole-4-carboxamide
CID 130284629
3-(4-chloro-3-fluoroanilino)-1-[(1S,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 130284773
3-anilino-1-[(1S,2R,3S)-3-hydroxy-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 152964021
1-[(1R,2R)-2-cyanocyclohexyl]-3-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrazole-4-carboxamide
CID 134142644
1-[(1S,2S,4S)-2-amino-4-hydroxy-4-methylcyclohexyl]-3-(4-chloroanilino)pyrazole-4-carboxamide
CID 130284824
2-[4-[[4-carbamoyl-1-[(1S,2S)-2-isocyanocyclohexyl]pyrazol-3-yl]amino]phenyl]acetic acid
CID 91819703

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide (CID 130284744) is 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide is NC(=O)c1cn(C2CCCCC2N)nc1Nc1cnc2c(c1)CNC2=O.
What is the InChIKey of 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide?
The InChIKey is AMYURBFJIPKCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c18-12-3-1-2-4-13(12)24-8-11(15(19)25)16(23-24)22-10-5-9-6-21-17(26)14(9)20-7-10/h5,7-8,12-13H,1-4,6,18H2,(H2,19,25)(H,21,26)(H,22,23).
What are the key properties of 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide?
1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide is sourced from PubChem (CID 130284744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).