2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid

C24H24F2N6O2 — CID 142287836

IUPAC2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCCC(C(=O)O)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2nccnc12
InChIInChI=1S/C24H24F2N6O2/c1-2-4-12-5-3-6-14(24(33)34)18(12)30-23-20-22(28-8-7-27-20)31-21(32-23)16-11-29-19-15(16)9-13(25)10-17(19)26/h7-12,14,18,29H,2-6H2,1H3,(H,33,34)(H,28,30,31,32)
InChIKeyHGXFKRWHRHAYSL-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.93
Rot. Bonds6

About 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid

2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid (PubChem CID 142287836) has the molecular formula C24H24F2N6O2 and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid
PubChem CID142287836
Molecular FormulaC24H24F2N6O2
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Name2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCCC(C(=O)O)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2nccnc12
InChIInChI=1S/C24H24F2N6O2/c1-2-4-12-5-3-6-14(24(33)34)18(12)30-23-20-22(28-8-7-27-20)31-21(32-23)16-11-29-19-15(16)9-13(25)10-17(19)26/h7-12,14,18,29H,2-6H2,1H3,(H,33,34)(H,28,30,31,32)
InChIKeyHGXFKRWHRHAYSL-UHFFFAOYSA-N
XLogP4.93
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid (CID 142287836) is 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid is CCCC1CCCC(C(=O)O)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2nccnc12.
What is the InChIKey of 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid?
The InChIKey is HGXFKRWHRHAYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c1-2-4-12-5-3-6-14(24(33)34)18(12)30-23-20-22(28-8-7-27-20)31-21(32-23)16-11-29-19-15(16)9-13(25)10-17(19)26/h7-12,14,18,29H,2-6H2,1H3,(H,33,34)(H,28,30,31,32).
What are the key properties of 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid?
2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid has a molecular weight of 466.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5,7-difluoro-1H-indol-3-yl)pteridin-4-yl]amino]-3-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 142287836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).