5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide

C20H23N7O3 — CID 170075056

IUPAC5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide
SMILESCC(C)N(CC=O)C(=O)Cn1nc(C(N)=O)c2cc(N(C)c3cncnc3)ccc21
InChIInChI=1S/C20H23N7O3/c1-13(2)26(6-7-28)18(29)11-27-17-5-4-14(8-16(17)19(24-27)20(21)30)25(3)15-9-22-12-23-10-15/h4-5,7-10,12-13H,6,11H2,1-3H3,(H2,21,30)
InChIKeyRZTYQNBAJPFXTD-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.13
Rot. Bonds8

About 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide

5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide (PubChem CID 170075056) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide
PubChem CID170075056
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide
SMILESCC(C)N(CC=O)C(=O)Cn1nc(C(N)=O)c2cc(N(C)c3cncnc3)ccc21
InChIInChI=1S/C20H23N7O3/c1-13(2)26(6-7-28)18(29)11-27-17-5-4-14(8-16(17)19(24-27)20(21)30)25(3)15-9-22-12-23-10-15/h4-5,7-10,12-13H,6,11H2,1-3H3,(H2,21,30)
InChIKeyRZTYQNBAJPFXTD-UHFFFAOYSA-N
XLogP1.13
TPSA127.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide?
The IUPAC name of 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide (CID 170075056) is 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide.
What is the SMILES notation for 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide?
The canonical SMILES for 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide is CC(C)N(CC=O)C(=O)Cn1nc(C(N)=O)c2cc(N(C)c3cncnc3)ccc21.
What is the InChIKey of 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide?
The InChIKey is RZTYQNBAJPFXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-13(2)26(6-7-28)18(29)11-27-17-5-4-14(8-16(17)19(24-27)20(21)30)25(3)15-9-22-12-23-10-15/h4-5,7-10,12-13H,6,11H2,1-3H3,(H2,21,30).
What are the key properties of 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide?
5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(pyrimidin-5-yl)amino]-1-[2-oxo-2-[2-oxoethyl(propan-2-yl)amino]ethyl]indazole-3-carboxamide is sourced from PubChem (CID 170075056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).