N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide

C18H25ClN6O2 — CID 72695304

IUPACN-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide
SMILESCC(C)C/N=C(\NC(=O)CN1CCOCC1)Nc1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H25ClN6O2/c1-12(2)10-20-18(21-16(26)11-25-5-7-27-8-6-25)22-17-14-9-13(19)3-4-15(14)23-24-17/h3-4,9,12H,5-8,10-11H2,1-2H3,(H3,20,21,22,23,24,26)
InChIKeyDPAJTUDLFVAOLW-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.09
Rot. Bonds5

About N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide

N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide (PubChem CID 72695304) has the molecular formula C18H25ClN6O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide
PubChem CID72695304
Molecular FormulaC18H25ClN6O2
Molecular Weight392.89 g/mol
Exact Mass392.17
IUPAC NameN-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide
SMILESCC(C)C/N=C(\NC(=O)CN1CCOCC1)Nc1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H25ClN6O2/c1-12(2)10-20-18(21-16(26)11-25-5-7-27-8-6-25)22-17-14-9-13(19)3-4-15(14)23-24-17/h3-4,9,12H,5-8,10-11H2,1-2H3,(H3,20,21,22,23,24,26)
InChIKeyDPAJTUDLFVAOLW-UHFFFAOYSA-N
XLogP2.09
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-1H-indazol-3-yl)-4-morpholineacetamide
CID 10085848
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-2-morpholin-4-ylacetamide
CID 46884087
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-morpholin-4-ylmethanone
CID 135198785
1H-Indazole, 5-chloro-3-(4-methyl-1-piperazinyl)-, monohydrochloride
CID 3079216
(2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 97084492
5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole
CID 3079217
2-(3-chlorophenyl)-N-[N-(6-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]acetamide
CID 72695104
N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide
CID 72695502
3-chloro-N-[N'-(2-ethoxyethyl)-N-(6-fluoro-1H-indazol-3-yl)carbamimidoyl]benzamide
CID 72943621
N-[N-(3-chloro-5-fluorophenyl)-N'-(6-chloro-1H-indazol-3-yl)carbamimidoyl]-2-morpholin-4-ylacetamide
CID 136259386
3-chloro-N-[N-(6-fluoro-1H-indazol-3-yl)-N'-(2-methoxyethyl)carbamimidoyl]benzamide
CID 72944303
N-(5-fluoro-1H-indazol-3-yl)-2-methyl-2-morpholin-4-ylpropanamide
CID 137930797

Frequently Asked Questions

What is the IUPAC name of N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide (CID 72695304) is N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide is CC(C)C/N=C(\NC(=O)CN1CCOCC1)Nc1n[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide?
The InChIKey is DPAJTUDLFVAOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O2/c1-12(2)10-20-18(21-16(26)11-25-5-7-27-8-6-25)22-17-14-9-13(19)3-4-15(14)23-24-17/h3-4,9,12H,5-8,10-11H2,1-2H3,(H3,20,21,22,23,24,26).
What are the key properties of N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide?
N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide has a molecular weight of 392.89 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 72695304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).