[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

C24H20F3N7O4 — CID 66760634

IUPAC[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
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccc4c(c3)c(=O)[nH]n4OC(=O)C(F)(F)F)oc12
InChIInChI=1S/C24H20F3N7O4/c25-24(26,27)23(36)38-34-18-2-1-12(7-16(18)22(35)32-34)19-8-15-17(10-30-21(28)20(15)37-19)13-9-31-33(11-13)14-3-5-29-6-4-14/h1-2,7-11,14,29H,3-6H2,(H2,28,30)(H,32,35)
InChIKeyPKGJZUPPEQTOKT-UHFFFAOYSA-N
MW527.46 g/mol
LogP3.03
Rot. Bonds4

About [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

[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 (PubChem CID 66760634) has the molecular formula C24H20F3N7O4 and a molecular weight of 527.46 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID66760634
Molecular FormulaC24H20F3N7O4
Molecular Weight527.46 g/mol
Exact Mass527.15
IUPAC Name[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
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccc4c(c3)c(=O)[nH]n4OC(=O)C(F)(F)F)oc12
InChIInChI=1S/C24H20F3N7O4/c25-24(26,27)23(36)38-34-18-2-1-12(7-16(18)22(35)32-34)19-8-15-17(10-30-21(28)20(15)37-19)13-9-31-33(11-13)14-3-5-29-6-4-14/h1-2,7-11,14,29H,3-6H2,(H2,28,30)(H,32,35)
InChIKeyPKGJZUPPEQTOKT-UHFFFAOYSA-N
XLogP3.03
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.46
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [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 with MolForge

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride
CID 87138460
2-(1H-indol-6-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377738
2-(1H-indol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377856
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
4-(1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)furo[2,3-c]pyridin-7-amine
CID 53377739
N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
CID 53377633
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
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-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 71812593
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
1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760577
3-[7-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 70683786

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccc4c(c3)c(=O)[nH]n4OC(=O)C(F)(F)F)oc12.
What is the InChIKey of [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?
The InChIKey is PKGJZUPPEQTOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O4/c25-24(26,27)23(36)38-34-18-2-1-12(7-16(18)22(35)32-34)19-8-15-17(10-30-21(28)20(15)37-19)13-9-31-33(11-13)14-3-5-29-6-4-14/h1-2,7-11,14,29H,3-6H2,(H2,28,30)(H,32,35).
What are the key properties of [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?
[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 has a molecular weight of 527.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 66760634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).