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

C18H12ClFN4O3 — CID 21104325

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2
InChIInChI=1S/C18H12ClFN4O3/c19-9-1-2-13(20)10(5-9)16-23-15-8-27-7-12(15)17(24-16)22-14-3-4-21-6-11(14)18(25)26/h1-6H,7-8H2,(H,25,26)(H,21,22,23,24)
InChIKeyUVAMEMVWDUVZGD-UHFFFAOYSA-N
MW386.77 g/mol
LogP3.80
Rot. Bonds4

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

4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 21104325) has the molecular formula C18H12ClFN4O3 and a molecular weight of 386.77 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID21104325
Molecular FormulaC18H12ClFN4O3
Molecular Weight386.77 g/mol
Exact Mass386.06
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2
InChIInChI=1S/C18H12ClFN4O3/c19-9-1-2-13(20)10(5-9)16-23-15-8-27-7-12(15)17(24-16)22-14-3-4-21-6-11(14)18(25)26/h1-6H,7-8H2,(H,25,26)(H,21,22,23,24)
InChIKeyUVAMEMVWDUVZGD-UHFFFAOYSA-N
XLogP3.80
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.77
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

methyl 5-chloro-6-(2-morpholino-4-(4-(trifluoromethyl)phenylamino)-8,9-dihydro-5H-pyrimido[5,4-d]azepin-7(6H)-yl)nicotinate
CID 52948674
5-chloro-6-(2-isopropyl-4-(4-(trifluoromethyl)phenylamino)-8,9-dihydro-5H-pyrimido[5,4-d]azepin-7(6H)-yl)nicotinic acid
CID 52941261
Synthesis of 4-[[2-amino-6-(5-chloro-2-fluoro-phenyl)-3-isopropenyl-4-pyridyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 118211146
Ethyl 4-[(3-chloro-4-fluorophenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258404
Ethyl 4-[(4-chloro-2-fluorophenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258416
Ethyl 4-[(2-chloro-4-fluorophenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132073
Ethyl 4-[(3-chloro-2-fluorophenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132096
Ethyl 4-[(2-chloro-5-fluorophenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132097
Ethyl 4-[(5-chloro-2-fluorophenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132099
Methyl 4-[[2-(5-chloro-2-fluoro-phenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 11856229
Ethyl 4-[[2-(5-chloro-2-fluoro-phenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 11856490
Ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 121309718

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-carboxylic acid?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (CID 21104325) is 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid is O=C(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-carboxylic acid?
The InChIKey is UVAMEMVWDUVZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O3/c19-9-1-2-13(20)10(5-9)16-23-15-8-27-7-12(15)17(24-16)22-14-3-4-21-6-11(14)18(25)26/h1-6H,7-8H2,(H,25,26)(H,21,22,23,24).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 386.77 g/mol, XLogP of 3.80, 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-carboxylic acid is sourced from PubChem (CID 21104325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).