1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

C19H17ClFN5O3 — CID 130299979

IUPAC1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)NCC(=O)NCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C19H17ClFN5O3/c20-13-6-3-4-11(17(13)21)8-23-15(27)9-24-16(28)10-26-14-7-2-1-5-12(14)18(25-26)19(22)29/h1-7H,8-10H2,(H2,22,29)(H,23,27)(H,24,28)
InChIKeyCUVBWNPHKRAMSM-UHFFFAOYSA-N
MW417.83 g/mol
LogP1.36
Rot. Bonds7

About 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 130299979) has the molecular formula C19H17ClFN5O3 and a molecular weight of 417.83 g/mol. Its IUPAC name is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID130299979
Molecular FormulaC19H17ClFN5O3
Molecular Weight417.83 g/mol
Exact Mass417.10
IUPAC Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)NCC(=O)NCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C19H17ClFN5O3/c20-13-6-3-4-11(17(13)21)8-23-15(27)9-24-16(28)10-26-14-7-2-1-5-12(14)18(25-26)19(22)29/h1-7H,8-10H2,(H2,22,29)(H,23,27)(H,24,28)
InChIKeyCUVBWNPHKRAMSM-UHFFFAOYSA-N
XLogP1.36
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.83
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 130299979) is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)NCC(=O)NCc2cccc(Cl)c2F)c2ccccc12.
What is the InChIKey of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is CUVBWNPHKRAMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O3/c20-13-6-3-4-11(17(13)21)8-23-15(27)9-24-16(28)10-26-14-7-2-1-5-12(14)18(25-26)19(22)29/h1-7H,8-10H2,(H2,22,29)(H,23,27)(H,24,28).
What are the key properties of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 417.83 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 130299979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).