4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one

C19H16ClFN2O3 — CID 175902238

IUPAC4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESCO[C@@H]1CCN(c2ccc3c(-c4ccc(F)cc4Cl)cc(=O)oc3n2)C1
InChIInChI=1S/C19H16ClFN2O3/c1-25-12-6-7-23(10-12)17-5-4-14-15(9-18(24)26-19(14)22-17)13-3-2-11(21)8-16(13)20/h2-5,8-9,12H,6-7,10H2,1H3/t12-/m1/s1
InChIKeyLQPVEJAPICBXNI-GFCCVEGCSA-N
MW374.80 g/mol
LogP3.87
Rot. Bonds3

About 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one

4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one (PubChem CID 175902238) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one
PubChem CID175902238
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESCO[C@@H]1CCN(c2ccc3c(-c4ccc(F)cc4Cl)cc(=O)oc3n2)C1
InChIInChI=1S/C19H16ClFN2O3/c1-25-12-6-7-23(10-12)17-5-4-14-15(9-18(24)26-19(14)22-17)13-3-2-11(21)8-16(13)20/h2-5,8-9,12H,6-7,10H2,1H3/t12-/m1/s1
InChIKeyLQPVEJAPICBXNI-GFCCVEGCSA-N
XLogP3.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one with MolForge

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Related Compounds

US20250066377, Example 44
CID 168942055
US20250066377, Example 17
CID 168942069
US20250066377, Example 47
CID 168942088
US20250066377, Example 21
CID 168942092
US20250066377, Example 45
CID 168942152
US20250066377, Example 18
CID 168942156
US20250066377, Example 54
CID 168942174
US20250066377, Example 52
CID 168942187
US20250066377, Example 55
CID 168942189
US20250066377, Example 46
CID 168942272
US20250066377, Example 53
CID 169715757
US20250066377, Example 26
CID 176456154

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one (CID 175902238) is 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one is CO[C@@H]1CCN(c2ccc3c(-c4ccc(F)cc4Cl)cc(=O)oc3n2)C1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one?
The InChIKey is LQPVEJAPICBXNI-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-25-12-6-7-23(10-12)17-5-4-14-15(9-18(24)26-19(14)22-17)13-3-2-11(21)8-16(13)20/h2-5,8-9,12H,6-7,10H2,1H3/t12-/m1/s1.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one?
4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one has a molecular weight of 374.80 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 175902238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).