(5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one

C23H21FN6O2 — CID 92570926

IUPAC(5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)N1
InChIInChI=1S/C23H21FN6O2/c24-15-3-5-16(6-4-15)26-22-17-13-30(23(32)19-7-8-20(31)27-19)11-9-18(17)28-21(29-22)14-2-1-10-25-12-14/h1-6,10,12,19H,7-9,11,13H2,(H,27,31)(H,26,28,29)/t19-/m1/s1
InChIKeyCFYFHPLLXXTRMT-LJQANCHMSA-N
MW432.46 g/mol
LogP2.58
Rot. Bonds4

About (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one

(5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one (PubChem CID 92570926) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
PubChem CID92570926
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name(5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)N1
InChIInChI=1S/C23H21FN6O2/c24-15-3-5-16(6-4-15)26-22-17-13-30(23(32)19-7-8-20(31)27-19)11-9-18(17)28-21(29-22)14-2-1-10-25-12-14/h1-6,10,12,19H,7-9,11,13H2,(H,27,31)(H,26,28,29)/t19-/m1/s1
InChIKeyCFYFHPLLXXTRMT-LJQANCHMSA-N
XLogP2.58
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one (CID 92570926) is (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one is O=C1CC[C@H](C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)N1.
What is the InChIKey of (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one?
The InChIKey is CFYFHPLLXXTRMT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-15-3-5-16(6-4-15)26-22-17-13-30(23(32)19-7-8-20(31)27-19)11-9-18(17)28-21(29-22)14-2-1-10-25-12-14/h1-6,10,12,19H,7-9,11,13H2,(H,27,31)(H,26,28,29)/t19-/m1/s1.
What are the key properties of (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one?
(5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one has a molecular weight of 432.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92570926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).