N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide

C22H23N5O4 — CID 89197465

IUPACN-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide
SMILESCCOc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc3cn(C)nc3c1)C2
InChIInChI=1S/C22H23N5O4/c1-3-31-17-7-6-15-11-27(21(29)18(15)9-17)12-20(24-22(30)23-13-28)14-4-5-16-10-26(2)25-19(16)8-14/h4-10,13,20H,3,11-12H2,1-2H3,(H2,23,24,28,30)/t20-/m0/s1
InChIKeySMYRGQPGRILXDD-FQEVSTJZSA-N
MW421.46 g/mol
LogP2.12
Rot. Bonds7

About N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide

N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide (PubChem CID 89197465) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide.

Molecular Properties

Compound NameN-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide
PubChem CID89197465
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide
SMILESCCOc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc3cn(C)nc3c1)C2
InChIInChI=1S/C22H23N5O4/c1-3-31-17-7-6-15-11-27(21(29)18(15)9-17)12-20(24-22(30)23-13-28)14-4-5-16-10-26(2)25-19(16)8-14/h4-10,13,20H,3,11-12H2,1-2H3,(H2,23,24,28,30)/t20-/m0/s1
InChIKeySMYRGQPGRILXDD-FQEVSTJZSA-N
XLogP2.12
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide?
The IUPAC name of N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide (CID 89197465) is N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide.
What is the SMILES notation for N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide?
The canonical SMILES for N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide is CCOc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc3cn(C)nc3c1)C2.
What is the InChIKey of N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide?
The InChIKey is SMYRGQPGRILXDD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-3-31-17-7-6-15-11-27(21(29)18(15)9-17)12-20(24-22(30)23-13-28)14-4-5-16-10-26(2)25-19(16)8-14/h4-10,13,20H,3,11-12H2,1-2H3,(H2,23,24,28,30)/t20-/m0/s1.
What are the key properties of N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide?
N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide has a molecular weight of 421.46 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide is sourced from PubChem (CID 89197465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).