N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C22H28Cl2FN5O — CID 120882849

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2F)CCNC3)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C22H26FN5O.2ClH/c1-12(2)19-9-16(17-11-25-28(13(3)4)21(17)26-19)22(29)27-18-6-5-14-10-24-8-7-15(14)20(18)23;;/h5-6,9,11-13,24H,7-8,10H2,1-4H3,(H,27,29);2*1H
InChIKeyRBDFTPKMUSVUHR-UHFFFAOYSA-N
MW468.40 g/mol
LogP5.02
Rot. Bonds4

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120882849) has the molecular formula C22H28Cl2FN5O and a molecular weight of 468.40 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID120882849
Molecular FormulaC22H28Cl2FN5O
Molecular Weight468.40 g/mol
Exact Mass467.17
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2F)CCNC3)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C22H26FN5O.2ClH/c1-12(2)19-9-16(17-11-25-28(13(3)4)21(17)26-19)22(29)27-18-6-5-14-10-24-8-7-15(14)20(18)23;;/h5-6,9,11-13,24H,7-8,10H2,1-4H3,(H,27,29);2*1H
InChIKeyRBDFTPKMUSVUHR-UHFFFAOYSA-N
XLogP5.02
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.40
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120882850
N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30430326
N-(2,4-dimethylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30426277
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 120881889
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 120884055
N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17476474
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propan-2-ylbenzamide
CID 120881766
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30438173
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
N-(1H-indazol-5-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51329679

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 120882849) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CC(C)c1cc(C(=O)Nc2ccc3c(c2F)CCNC3)c2cnn(C(C)C)c2n1.Cl.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is RBDFTPKMUSVUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O.2ClH/c1-12(2)19-9-16(17-11-25-28(13(3)4)21(17)26-19)22(29)27-18-6-5-14-10-24-8-7-15(14)20(18)23;;/h5-6,9,11-13,24H,7-8,10H2,1-4H3,(H,27,29);2*1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 468.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120882849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).