N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

C19H23F2N7O — CID 155786263

IUPACN-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESCC(F)(F)CNC1CCC(NC(=O)c2nc(-n3ccnc3)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H23F2N7O/c1-19(20,21)10-23-13-2-4-14(5-3-13)25-18(29)17-16-12(9-24-27-16)8-15(26-17)28-7-6-22-11-28/h6-9,11,13-14,23H,2-5,10H2,1H3,(H,24,27)(H,25,29)
InChIKeyYHGCGKCSTDHWQN-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.43
Rot. Bonds6

About N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155786263) has the molecular formula C19H23F2N7O and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155786263
Molecular FormulaC19H23F2N7O
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC NameN-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESCC(F)(F)CNC1CCC(NC(=O)c2nc(-n3ccnc3)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H23F2N7O/c1-19(20,21)10-23-13-2-4-14(5-3-13)25-18(29)17-16-12(9-24-27-16)8-15(26-17)28-7-6-22-11-28/h6-9,11,13-14,23H,2-5,10H2,1H3,(H,24,27)(H,25,29)
InChIKeyYHGCGKCSTDHWQN-UHFFFAOYSA-N
XLogP2.43
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (CID 155786263) is N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is CC(F)(F)CNC1CCC(NC(=O)c2nc(-n3ccnc3)cc3cn[nH]c23)CC1.
What is the InChIKey of N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is YHGCGKCSTDHWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N7O/c1-19(20,21)10-23-13-2-4-14(5-3-13)25-18(29)17-16-12(9-24-27-16)8-15(26-17)28-7-6-22-11-28/h6-9,11,13-14,23H,2-5,10H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoropropylamino)cyclohexyl]-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155786263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).