4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide

C18H13ClFN5O2 — CID 21104326

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2
InChIInChI=1S/C18H13ClFN5O2/c19-9-1-2-13(20)10(5-9)17-24-15-8-27-7-12(15)18(25-17)23-14-3-4-22-6-11(14)16(21)26/h1-6H,7-8H2,(H2,21,26)(H,22,23,24,25)
InChIKeyQAQNVRFQHTWDHC-UHFFFAOYSA-N
MW385.79 g/mol
LogP3.20
Rot. Bonds4

About 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 21104326) has the molecular formula C18H13ClFN5O2 and a molecular weight of 385.79 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID21104326
Molecular FormulaC18H13ClFN5O2
Molecular Weight385.79 g/mol
Exact Mass385.07
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2
InChIInChI=1S/C18H13ClFN5O2/c19-9-1-2-13(20)10(5-9)17-24-15-8-27-7-12(15)18(25-17)23-14-3-4-22-6-11(14)16(21)26/h1-6H,7-8H2,(H2,21,26)(H,22,23,24,25)
InChIKeyQAQNVRFQHTWDHC-UHFFFAOYSA-N
XLogP3.20
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.79
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide (CID 21104326) is 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide is NC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is QAQNVRFQHTWDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O2/c19-9-1-2-13(20)10(5-9)17-24-15-8-27-7-12(15)18(25-17)23-14-3-4-22-6-11(14)16(21)26/h1-6H,7-8H2,(H2,21,26)(H,22,23,24,25).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 385.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 21104326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).