2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride

C14H15ClF3N5O — CID 23582518

IUPAC2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCl.Nc1nccc(-c2cc3c([nH]2)C(CCC(F)(F)F)CNC3=O)n1
InChIInChI=1S/C14H14F3N5O.ClH/c15-14(16,17)3-1-7-6-20-12(23)8-5-10(21-11(7)8)9-2-4-19-13(18)22-9;/h2,4-5,7,21H,1,3,6H2,(H,20,23)(H2,18,19,22);1H
InChIKeyFGTIFTXDSNIPPO-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.65
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride

2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (PubChem CID 23582518) has the molecular formula C14H15ClF3N5O and a molecular weight of 361.76 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
PubChem CID23582518
Molecular FormulaC14H15ClF3N5O
Molecular Weight361.76 g/mol
Exact Mass361.09
IUPAC Name2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCl.Nc1nccc(-c2cc3c([nH]2)C(CCC(F)(F)F)CNC3=O)n1
InChIInChI=1S/C14H14F3N5O.ClH/c15-14(16,17)3-1-7-6-20-12(23)8-5-10(21-11(7)8)9-2-4-19-13(18)22-9;/h2,4-5,7,21H,1,3,6H2,(H,20,23)(H2,18,19,22);1H
InChIKeyFGTIFTXDSNIPPO-UHFFFAOYSA-N
XLogP2.65
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (CID 23582518) is 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride is Cl.Nc1nccc(-c2cc3c([nH]2)C(CCC(F)(F)F)CNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The InChIKey is FGTIFTXDSNIPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O.ClH/c15-14(16,17)3-1-7-6-20-12(23)8-5-10(21-11(7)8)9-2-4-19-13(18)22-9;/h2,4-5,7,21H,1,3,6H2,(H,20,23)(H2,18,19,22);1H.
What are the key properties of 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride has a molecular weight of 361.76 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride is sourced from PubChem (CID 23582518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).