N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide

C17H20N6O2 — CID 171839960

IUPACN-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
SMILESC[C@H](O)c1nc(-c2nn(C)c3cnc(NC(=O)C4CC4)cc23)cn1C
InChIInChI=1S/C17H20N6O2/c1-9(24)16-19-12(8-22(16)2)15-11-6-14(20-17(25)10-4-5-10)18-7-13(11)23(3)21-15/h6-10,24H,4-5H2,1-3H3,(H,18,20,25)/t9-/m0/s1
InChIKeyQTFYHQVCOKIPDJ-VIFPVBQESA-N
MW340.39 g/mol
LogP1.77
Rot. Bonds4

About N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide

N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 171839960) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID171839960
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
SMILESC[C@H](O)c1nc(-c2nn(C)c3cnc(NC(=O)C4CC4)cc23)cn1C
InChIInChI=1S/C17H20N6O2/c1-9(24)16-19-12(8-22(16)2)15-11-6-14(20-17(25)10-4-5-10)18-7-13(11)23(3)21-15/h6-10,24H,4-5H2,1-3H3,(H,18,20,25)/t9-/m0/s1
InChIKeyQTFYHQVCOKIPDJ-VIFPVBQESA-N
XLogP1.77
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839946
4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide
CID 171839968
N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839908
N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
CID 163252783
N-[8-(methylamino)-5-(1-methylindol-3-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677953
N-[6-[(1,6-dimethylindazol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 167686376
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258
N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097791
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138588625
N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
CID 176572417
N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 170233143

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide (CID 171839960) is N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide is C[C@H](O)c1nc(-c2nn(C)c3cnc(NC(=O)C4CC4)cc23)cn1C.
What is the InChIKey of N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is QTFYHQVCOKIPDJ-VIFPVBQESA-N. The full InChI is InChI=1S/C17H20N6O2/c1-9(24)16-19-12(8-22(16)2)15-11-6-14(20-17(25)10-4-5-10)18-7-13(11)23(3)21-15/h6-10,24H,4-5H2,1-3H3,(H,18,20,25)/t9-/m0/s1.
What are the key properties of N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171839960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).