N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide

C22H24N6O3S — CID 53377633

IUPACN-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc3c(-c4cnn(C5CCNCC5)c4)cnc(N)c3o2)c1
InChIInChI=1S/C22H24N6O3S/c1-32(29,30)27-16-4-2-3-14(9-16)20-10-18-19(12-25-22(23)21(18)31-20)15-11-26-28(13-15)17-5-7-24-8-6-17/h2-4,9-13,17,24,27H,5-8H2,1H3,(H2,23,25)
InChIKeyLPXSTKBGLXGGIE-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.24
Rot. Bonds5

About N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide

N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide (PubChem CID 53377633) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
PubChem CID53377633
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC NameN-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc3c(-c4cnn(C5CCNCC5)c4)cnc(N)c3o2)c1
InChIInChI=1S/C22H24N6O3S/c1-32(29,30)27-16-4-2-3-14(9-16)20-10-18-19(12-25-22(23)21(18)31-20)15-11-26-28(13-15)17-5-7-24-8-6-17/h2-4,9-13,17,24,27H,5-8H2,1H3,(H2,23,25)
InChIKeyLPXSTKBGLXGGIE-UHFFFAOYSA-N
XLogP3.24
TPSA128.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1H-indol-6-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377738
4-(1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)furo[2,3-c]pyridin-7-amine
CID 53377739
2-(1H-indol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377856
2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride
CID 87138460
[5-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-3-oxo-2H-indazol-1-yl] 2,2,2-trifluoroacetate
CID 66760634
2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 149486732
1-[4-[4-[7-amino-2-(1-benzofuran-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66759993
3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)
CID 86662418
1-[4-[4-[7-amino-2-(1H-indol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760699
3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521585
4-[4-[7-amino-2-[2-(methylamino)-1,3-benzothiazol-7-yl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]-1-methylcyclohexan-1-ol
CID 123253955
1-[4-[4-[7-amino-2-(1-methylpyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760160

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide (CID 53377633) is N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cc3c(-c4cnn(C5CCNCC5)c4)cnc(N)c3o2)c1.
What is the InChIKey of N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide?
The InChIKey is LPXSTKBGLXGGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-32(29,30)27-16-4-2-3-14(9-16)20-10-18-19(12-25-22(23)21(18)31-20)15-11-26-28(13-15)17-5-7-24-8-6-17/h2-4,9-13,17,24,27H,5-8H2,1H3,(H2,23,25).
What are the key properties of N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide?
N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 53377633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).