4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride

C16H21ClF2N4O — CID 175877001

IUPAC4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(N3CCC(F)C(N)C3)c2c1C.Cl
InChIInChI=1S/C16H20F2N4O.ClH/c1-7-8(2)21-14-9(16(20)23)5-11(18)15(13(7)14)22-4-3-10(17)12(19)6-22;/h5,10,12,21H,3-4,6,19H2,1-2H3,(H2,20,23);1H
InChIKeyGLIOOIMDZLANCD-UHFFFAOYSA-N
MW358.82 g/mol
LogP2.32
Rot. Bonds2

About 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride

4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride (PubChem CID 175877001) has the molecular formula C16H21ClF2N4O and a molecular weight of 358.82 g/mol. Its IUPAC name is 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
PubChem CID175877001
Molecular FormulaC16H21ClF2N4O
Molecular Weight358.82 g/mol
Exact Mass358.14
IUPAC Name4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(N3CCC(F)C(N)C3)c2c1C.Cl
InChIInChI=1S/C16H20F2N4O.ClH/c1-7-8(2)21-14-9(16(20)23)5-11(18)15(13(7)14)22-4-3-10(17)12(19)6-22;/h5,10,12,21H,3-4,6,19H2,1-2H3,(H2,20,23);1H
InChIKeyGLIOOIMDZLANCD-UHFFFAOYSA-N
XLogP2.32
TPSA88.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride?
The IUPAC name of 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride (CID 175877001) is 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride.
What is the SMILES notation for 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride?
The canonical SMILES for 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride is Cc1[nH]c2c(C(N)=O)cc(F)c(N3CCC(F)C(N)C3)c2c1C.Cl.
What is the InChIKey of 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride?
The InChIKey is GLIOOIMDZLANCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O.ClH/c1-7-8(2)21-14-9(16(20)23)5-11(18)15(13(7)14)22-4-3-10(17)12(19)6-22;/h5,10,12,21H,3-4,6,19H2,1-2H3,(H2,20,23);1H.
What are the key properties of 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride?
4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride has a molecular weight of 358.82 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride is sourced from PubChem (CID 175877001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).