N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide

C18H25FN6O3 — CID 72695502

IUPACN-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide
SMILESCOCC(C)/N=C(\NC(=O)CN1CCOCC1)Nc1n[nH]c2c(F)cccc12
InChIInChI=1S/C18H25FN6O3/c1-12(11-27-2)20-18(21-15(26)10-25-6-8-28-9-7-25)22-17-13-4-3-5-14(19)16(13)23-24-17/h3-5,12H,6-11H2,1-2H3,(H3,20,21,22,23,24,26)
InChIKeyMSZHZVVIWKVKQR-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.95
Rot. Bonds6

About N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide

N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide (PubChem CID 72695502) has the molecular formula C18H25FN6O3 and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide
PubChem CID72695502
Molecular FormulaC18H25FN6O3
Molecular Weight392.44 g/mol
Exact Mass392.20
IUPAC NameN-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide
SMILESCOCC(C)/N=C(\NC(=O)CN1CCOCC1)Nc1n[nH]c2c(F)cccc12
InChIInChI=1S/C18H25FN6O3/c1-12(11-27-2)20-18(21-15(26)10-25-6-8-28-9-7-25)22-17-13-4-3-5-14(19)16(13)23-24-17/h3-5,12H,6-11H2,1-2H3,(H3,20,21,22,23,24,26)
InChIKeyMSZHZVVIWKVKQR-UHFFFAOYSA-N
XLogP0.95
TPSA103.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
Indazole, 3-((3-morpholinopropyl)amino)-
CID 3065651
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71991374
1-(1H-indazol-3-yl)-N-(2-morpholinoethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 71707084
N-(1-methyl-4-morpholin-4-yl-1H-indazol-3-yl)-2-(2-oxopyrimidin-1(2H)-yl)acetamide
CID 70709643
N~1~-(1-benzyl-4-morpholin-4-yl-1H-indazol-3-yl)glycinamide
CID 70757647
N~1~-(1-benzyl-4-morpholin-4-yl-1H-indazol-3-yl)-N~2~-methylglycinamide
CID 70782964
(3S)-1-(1H-indazol-3-yl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 97265838
3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide
CID 126777817
(3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide
CID 129359249
4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
CID 11222041
4-(2-fluorophenyl)-1-piperazinecarboxylic acid (1H-indazol-3-yl)amide
CID 11233071

Frequently Asked Questions

What is the IUPAC name of N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide (CID 72695502) is N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide is COCC(C)/N=C(\NC(=O)CN1CCOCC1)Nc1n[nH]c2c(F)cccc12.
What is the InChIKey of N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide?
The InChIKey is MSZHZVVIWKVKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O3/c1-12(11-27-2)20-18(21-15(26)10-25-6-8-28-9-7-25)22-17-13-4-3-5-14(19)16(13)23-24-17/h3-5,12H,6-11H2,1-2H3,(H3,20,21,22,23,24,26).
What are the key properties of N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide?
N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide has a molecular weight of 392.44 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(7-fluoro-1H-indazol-3-yl)-N'-(1-methoxypropan-2-yl)carbamimidoyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 72695502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).