(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one

C13H12FN5O — CID 139592320

IUPAC(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)[C@@H](CCF)C=NC3=O)n1
InChIInChI=1S/C13H12FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-7,18H,1,3H2,(H2,15,16,19)/t7-/m0/s1
InChIKeyHBNKCTQUXSOOGS-ZETCQYMHSA-N
MW273.27 g/mol
LogP1.72
Rot. Bonds3

About (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one

(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 139592320) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one
PubChem CID139592320
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)[C@@H](CCF)C=NC3=O)n1
InChIInChI=1S/C13H12FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-7,18H,1,3H2,(H2,15,16,19)/t7-/m0/s1
InChIKeyHBNKCTQUXSOOGS-ZETCQYMHSA-N
XLogP1.72
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
CID 23582518
(7R)-2-(2-aminopyrimidin-4-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11557793
2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
CID 11300081
2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11425051
2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
CID 69182358
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592
4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
CID 71042713
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide
CID 66571200
2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 162046550
5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 70979559
2-[5-(2-aminopyrimidin-4-yl)-2-(2-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]benzamide;hydrochloride
CID 175272229
4-(4-amino-2-chlorophenyl)pyrimidin-2-amine
CID 118540127

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one (CID 139592320) is (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)C=NC3=O)n1.
What is the InChIKey of (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is HBNKCTQUXSOOGS-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H12FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-7,18H,1,3H2,(H2,15,16,19)/t7-/m0/s1.
What are the key properties of (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one?
(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 273.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,7-dihydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 139592320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).