4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid

C26H25N5O4 — CID 170173451

IUPAC4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESCCc1nc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)ncc1C(=O)O
InChIInChI=1S/C26H25N5O4/c1-2-21-20(25(33)34)15-28-26(30-21)31-12-8-18(9-13-31)29-24(32)17-5-3-16(4-6-17)23-19-10-14-35-22(19)7-11-27-23/h3-7,10-11,14-15,18H,2,8-9,12-13H2,1H3,(H,29,32)(H,33,34)
InChIKeyRCVCYLZWLHEMQE-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.94
Rot. Bonds6

About 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid

4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 170173451) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
PubChem CID170173451
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESCCc1nc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)ncc1C(=O)O
InChIInChI=1S/C26H25N5O4/c1-2-21-20(25(33)34)15-28-26(30-21)31-12-8-18(9-13-31)29-24(32)17-5-3-16(4-6-17)23-19-10-14-35-22(19)7-11-27-23/h3-7,10-11,14-15,18H,2,8-9,12-13H2,1H3,(H,29,32)(H,33,34)
InChIKeyRCVCYLZWLHEMQE-UHFFFAOYSA-N
XLogP3.94
TPSA121.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 166901154
N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900978
4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
CID 162519560
ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate
CID 169304015
(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 170171245
4-furo[3,2-c]pyridin-4-yl-N-(1-pyridazin-3-ylpiperidin-4-yl)benzamide
CID 162519533
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxyethyl)cyclohexyl]benzamide
CID 162519495
trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 170170991
4-furo[3,2-c]pyridin-4-yl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]benzamide
CID 166900969
4-furo[3,2-c]pyridin-4-yl-N-pyrrolidin-3-ylbenzamide
CID 166900825
4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
CID 162519539
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxycyclopropyl)cyclohexyl]benzamide
CID 162519561

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid (CID 170173451) is 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid is CCc1nc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)ncc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is RCVCYLZWLHEMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-2-21-20(25(33)34)15-28-26(30-21)31-12-8-18(9-13-31)29-24(32)17-5-3-16(4-6-17)23-19-10-14-35-22(19)7-11-27-23/h3-7,10-11,14-15,18H,2,8-9,12-13H2,1H3,(H,29,32)(H,33,34).
What are the key properties of 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid?
4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 471.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 170173451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).