[5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone

C26H23N7O3 — CID 90002224

IUPAC[5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone
SMILESNc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(C(=O)N5CCOCC5)c4c3)n2)c2ccccc12
InChIInChI=1S/C26H23N7O3/c27-20-6-8-22(18-4-2-1-3-17(18)20)36-23-9-10-28-26(30-23)29-16-5-7-21-19(15-16)24(32-31-21)25(34)33-11-13-35-14-12-33/h1-10,15H,11-14,27H2,(H,31,32)(H,28,29,30)
InChIKeyLCUUWSNFSABQFS-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.10
Rot. Bonds5

About [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone

[5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 90002224) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone
PubChem CID90002224
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name[5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone
SMILESNc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(C(=O)N5CCOCC5)c4c3)n2)c2ccccc12
InChIInChI=1S/C26H23N7O3/c27-20-6-8-22(18-4-2-1-3-17(18)20)36-23-9-10-28-26(30-23)29-16-5-7-21-19(15-16)24(32-31-21)25(34)33-11-13-35-14-12-33/h1-10,15H,11-14,27H2,(H,31,32)(H,28,29,30)
InChIKeyLCUUWSNFSABQFS-UHFFFAOYSA-N
XLogP4.10
TPSA131.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-3-(2-morpholin-4-ylethoxy)-1H-indazol-5-amine
CID 90004998
5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N,N-dimethyl-1H-indazole-3-carboxamide
CID 90004967
N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine
CID 90004941
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-[[3-(4-morpholin-4-ylbutanoyl)-1H-indazol-5-yl]amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 159271009
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
1-[3-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-[4-[2-[[3-(2-morpholin-4-ylethoxy)-1H-indazol-5-yl]amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 144581995
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine
CID 159502970
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-6-methyl-1H-indazol-5-amine
CID 118235979
1-[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[2-[(3-methyl-1H-indazol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 136970219

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone (CID 90002224) is [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone is Nc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(C(=O)N5CCOCC5)c4c3)n2)c2ccccc12.
What is the InChIKey of [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is LCUUWSNFSABQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c27-20-6-8-22(18-4-2-1-3-17(18)20)36-23-9-10-28-26(30-23)29-16-5-7-21-19(15-16)24(32-31-21)25(34)33-11-13-35-14-12-33/h1-10,15H,11-14,27H2,(H,31,32)(H,28,29,30).
What are the key properties of [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone?
[5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 481.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90002224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).