N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C27H26F2N8O3 — CID 118172999

IUPACN-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3cc4cn(CC(=O)N5CCN(C(=O)C6CC6)CC5)nc4cc3F)ccc2F)cn1
InChIInChI=1S/C27H26F2N8O3/c1-34-13-18(12-30-34)25-19(28)4-5-21(31-25)26(39)32-23-10-17-14-37(33-22(17)11-20(23)29)15-24(38)35-6-8-36(9-7-35)27(40)16-2-3-16/h4-5,10-14,16H,2-3,6-9,15H2,1H3,(H,32,39)
InChIKeyLWNFEXIXXFQNGP-UHFFFAOYSA-N
MW548.55 g/mol
LogP2.44
Rot. Bonds6

About N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118172999) has the molecular formula C27H26F2N8O3 and a molecular weight of 548.55 g/mol. Its IUPAC name is N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118172999
Molecular FormulaC27H26F2N8O3
Molecular Weight548.55 g/mol
Exact Mass548.21
IUPAC NameN-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3cc4cn(CC(=O)N5CCN(C(=O)C6CC6)CC5)nc4cc3F)ccc2F)cn1
InChIInChI=1S/C27H26F2N8O3/c1-34-13-18(12-30-34)25-19(28)4-5-21(31-25)26(39)32-23-10-17-14-37(33-22(17)11-20(23)29)15-24(38)35-6-8-36(9-7-35)27(40)16-2-3-16/h4-5,10-14,16H,2-3,6-9,15H2,1H3,(H,32,39)
InChIKeyLWNFEXIXXFQNGP-UHFFFAOYSA-N
XLogP2.44
TPSA118.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.55
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 118172999) is N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2nc(C(=O)Nc3cc4cn(CC(=O)N5CCN(C(=O)C6CC6)CC5)nc4cc3F)ccc2F)cn1.
What is the InChIKey of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is LWNFEXIXXFQNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N8O3/c1-34-13-18(12-30-34)25-19(28)4-5-21(31-25)26(39)32-23-10-17-14-37(33-22(17)11-20(23)29)15-24(38)35-6-8-36(9-7-35)27(40)16-2-3-16/h4-5,10-14,16H,2-3,6-9,15H2,1H3,(H,32,39).
What are the key properties of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 548.55 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118172999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).