7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C19H19F3N4O2 — CID 162370573

IUPAC7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCC1NC(=O)C(F)CC1Nc1nc(=O)cc2n1C(c1ccc(F)cc1F)CC2
InChIInChI=1S/C19H19F3N4O2/c1-9-15(8-14(22)18(28)23-9)24-19-25-17(27)7-11-3-5-16(26(11)19)12-4-2-10(20)6-13(12)21/h2,4,6-7,9,14-16H,3,5,8H2,1H3,(H,23,28)(H,24,25,27)
InChIKeyCTDJUPFEOTUHNL-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.08
Rot. Bonds3

About 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 162370573) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID162370573
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCC1NC(=O)C(F)CC1Nc1nc(=O)cc2n1C(c1ccc(F)cc1F)CC2
InChIInChI=1S/C19H19F3N4O2/c1-9-15(8-14(22)18(28)23-9)24-19-25-17(27)7-11-3-5-16(26(11)19)12-4-2-10(20)6-13(12)21/h2,4,6-7,9,14-16H,3,5,8H2,1H3,(H,23,28)(H,24,25,27)
InChIKeyCTDJUPFEOTUHNL-UHFFFAOYSA-N
XLogP2.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one with MolForge

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Related Compounds

3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 156619932
7-[(3,4-Difluorophenyl)methyl]-2-(4-methylpiperazin-1-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665517
2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135460542
N-(2,4-difluorobenzyl)-2-(4-methyl-6-oxo-2-(pyrrolidin-1-yl)pyrimidin-1(6H)-yl)acetamide
CID 49667292
7-[(2-Fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719679
2-(dimethylamino)-2-(4-fluorophenyl)-N-{2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)amino]ethyl}acetamide
CID 136249129
7-[(2,5-Difluorophenyl)methyl]-2-(4-methylpiperazin-1-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665519
7-[(2,3-Difluorophenyl)methyl]-2-(4-methylpiperazin-1-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665533
7-[(2,4-Difluorophenyl)methyl]-2-(4-methylpiperazin-1-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665831
4-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136881804
2-[(3-fluorophenyl)methylamino]-4-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 136881851
7-[(2-Fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674430

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 162370573) is 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is CC1NC(=O)C(F)CC1Nc1nc(=O)cc2n1C(c1ccc(F)cc1F)CC2.
What is the InChIKey of 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is CTDJUPFEOTUHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-9-15(8-14(22)18(28)23-9)24-19-25-17(27)7-11-3-5-16(26(11)19)12-4-2-10(20)6-13(12)21/h2,4,6-7,9,14-16H,3,5,8H2,1H3,(H,23,28)(H,24,25,27).
What are the key properties of 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 392.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-1-[(5-fluoro-2-methyl-6-oxopiperidin-3-yl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 162370573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).