2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid

C26H24FN7O4 — CID 155260031

IUPAC2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILESCc1c(F)ccc2[nH]c(C(=O)N3CCc4[nH]nc(C(=O)N(C)C5(c6ncc(C(=O)O)cn6)CC5)c4C3)cc12
InChIInChI=1S/C26H24FN7O4/c1-13-15-9-20(30-18(15)4-3-17(13)27)22(35)34-8-5-19-16(12-34)21(32-31-19)23(36)33(2)26(6-7-26)25-28-10-14(11-29-25)24(37)38/h3-4,9-11,30H,5-8,12H2,1-2H3,(H,31,32)(H,37,38)
InChIKeyLHEDXACOCAMOHK-UHFFFAOYSA-N
MW517.52 g/mol
LogP2.79
Rot. Bonds5

About 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid

2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid (PubChem CID 155260031) has the molecular formula C26H24FN7O4 and a molecular weight of 517.52 g/mol. Its IUPAC name is 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid
PubChem CID155260031
Molecular FormulaC26H24FN7O4
Molecular Weight517.52 g/mol
Exact Mass517.19
IUPAC Name2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILESCc1c(F)ccc2[nH]c(C(=O)N3CCc4[nH]nc(C(=O)N(C)C5(c6ncc(C(=O)O)cn6)CC5)c4C3)cc12
InChIInChI=1S/C26H24FN7O4/c1-13-15-9-20(30-18(15)4-3-17(13)27)22(35)34-8-5-19-16(12-34)21(32-31-19)23(36)33(2)26(6-7-26)25-28-10-14(11-29-25)24(37)38/h3-4,9-11,30H,5-8,12H2,1-2H3,(H,31,32)(H,37,38)
InChIKeyLHEDXACOCAMOHK-UHFFFAOYSA-N
XLogP2.79
TPSA148.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.52
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid (CID 155260031) is 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid is Cc1c(F)ccc2[nH]c(C(=O)N3CCc4[nH]nc(C(=O)N(C)C5(c6ncc(C(=O)O)cn6)CC5)c4C3)cc12.
What is the InChIKey of 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid?
The InChIKey is LHEDXACOCAMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O4/c1-13-15-9-20(30-18(15)4-3-17(13)27)22(35)34-8-5-19-16(12-34)21(32-31-19)23(36)33(2)26(6-7-26)25-28-10-14(11-29-25)24(37)38/h3-4,9-11,30H,5-8,12H2,1-2H3,(H,31,32)(H,37,38).
What are the key properties of 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid?
2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid has a molecular weight of 517.52 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 155260031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).