N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide

C14H16N6O4 — CID 3908297

IUPACN-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NC(CO)C(=O)Nc2ccc3cn[nH]c3c2)N1
InChIInChI=1S/C14H16N6O4/c21-6-11(18-12(22)10-5-15-14(24)19-10)13(23)17-8-2-1-7-4-16-20-9(7)3-8/h1-4,10-11,21H,5-6H2,(H,16,20)(H,17,23)(H,18,22)(H2,15,19,24)
InChIKeyKZBFXYCHRDRXCO-UHFFFAOYSA-N
MW332.32 g/mol
LogP-1.34
Rot. Bonds5

About N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide

N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 3908297) has the molecular formula C14H16N6O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID3908297
Molecular FormulaC14H16N6O4
Molecular Weight332.32 g/mol
Exact Mass332.12
IUPAC NameN-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NC(CO)C(=O)Nc2ccc3cn[nH]c3c2)N1
InChIInChI=1S/C14H16N6O4/c21-6-11(18-12(22)10-5-15-14(24)19-10)13(23)17-8-2-1-7-4-16-20-9(7)3-8/h1-4,10-11,21H,5-6H2,(H,16,20)(H,17,23)(H,18,22)(H2,15,19,24)
InChIKeyKZBFXYCHRDRXCO-UHFFFAOYSA-N
XLogP-1.34
TPSA148.24 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 5-1.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide (CID 3908297) is N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)NC(CO)C(=O)Nc2ccc3cn[nH]c3c2)N1.
What is the InChIKey of N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is KZBFXYCHRDRXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O4/c21-6-11(18-12(22)10-5-15-14(24)19-10)13(23)17-8-2-1-7-4-16-20-9(7)3-8/h1-4,10-11,21H,5-6H2,(H,16,20)(H,17,23)(H,18,22)(H2,15,19,24).
What are the key properties of N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide?
N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 332.32 g/mol, XLogP of -1.34, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 3908297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).