2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride

C23H20ClF6N5O — CID 87138460

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride
SMILESCl.Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)oc12
InChIInChI=1S/C23H19F6N5O.ClH/c24-22(25,26)14-5-12(6-15(7-14)23(27,28)29)19-8-17-18(10-32-21(30)20(17)35-19)13-9-33-34(11-13)16-1-3-31-4-2-16;/h5-11,16,31H,1-4H2,(H2,30,32);1H
InChIKeyYWUXUPQIMZPYOW-UHFFFAOYSA-N
MW531.89 g/mol
LogP6.32
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride

2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride (PubChem CID 87138460) has the molecular formula C23H20ClF6N5O and a molecular weight of 531.89 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride
PubChem CID87138460
Molecular FormulaC23H20ClF6N5O
Molecular Weight531.89 g/mol
Exact Mass531.13
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride
SMILESCl.Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)oc12
InChIInChI=1S/C23H19F6N5O.ClH/c24-22(25,26)14-5-12(6-15(7-14)23(27,28)29)19-8-17-18(10-32-21(30)20(17)35-19)13-9-33-34(11-13)16-1-3-31-4-2-16;/h5-11,16,31H,1-4H2,(H2,30,32);1H
InChIKeyYWUXUPQIMZPYOW-UHFFFAOYSA-N
XLogP6.32
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.89
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)furo[2,3-c]pyridin-7-amine
CID 53377739
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
N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
CID 53377633
[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
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
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-(1H-indol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760699
4-[1-[(1S,5R)-3-bicyclo[3.2.1]octanyl]pyrazol-4-yl]-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-7-amine
CID 158170352
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
2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 78225389

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride (CID 87138460) is 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride is Cl.Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)oc12.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride?
The InChIKey is YWUXUPQIMZPYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N5O.ClH/c24-22(25,26)14-5-12(6-15(7-14)23(27,28)29)19-8-17-18(10-32-21(30)20(17)35-19)13-9-33-34(11-13)16-1-3-31-4-2-16;/h5-11,16,31H,1-4H2,(H2,30,32);1H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride?
2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride has a molecular weight of 531.89 g/mol, XLogP of 6.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 87138460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).