[5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide

C30H32N6O5 — CID 166129323

IUPAC[5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1.COc1nc(C(=O)N2CC3(COC3)C2)ccc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C19H19N5O3.C11H13NO2/c1-26-17-14(20-16-12-4-2-3-5-13(12)22-23-16)6-7-15(21-17)18(25)24-8-19(9-24)10-27-11-19;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-7H,8-11H2,1H3,(H2,20,22,23);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyBWQMVXAGKLYXBI-UHFFFAOYSA-N
MW556.62 g/mol
LogP4.23
Rot. Bonds7

About [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide

[5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide (PubChem CID 166129323) has the molecular formula C30H32N6O5 and a molecular weight of 556.62 g/mol. Its IUPAC name is [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound Name[5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide
PubChem CID166129323
Molecular FormulaC30H32N6O5
Molecular Weight556.62 g/mol
Exact Mass556.24
IUPAC Name[5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1.COc1nc(C(=O)N2CC3(COC3)C2)ccc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C19H19N5O3.C11H13NO2/c1-26-17-14(20-16-12-4-2-3-5-13(12)22-23-16)6-7-15(21-17)18(25)24-8-19(9-24)10-27-11-19;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-7H,8-11H2,1H3,(H2,20,22,23);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyBWQMVXAGKLYXBI-UHFFFAOYSA-N
XLogP4.23
TPSA130.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.62
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide with MolForge

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Related Compounds

ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129113
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128442
N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128780
ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128483
N-[5-methoxy-2-(oxetan-3-yl)pyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129181
N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128826
N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128980
N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
CID 166129289
N-(5-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methylphenyl)cyclopropanecarboxamide
CID 166129496
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
(2'S,3R)-5-methoxy-2'-[3-[[2-methoxy-6-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]amino]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166128976
ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129027

Frequently Asked Questions

What is the IUPAC name of [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The IUPAC name of [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide (CID 166129323) is [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide.
What is the SMILES notation for [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The canonical SMILES for [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide is COc1ccc(NC(=O)C2CC2)cc1.COc1nc(C(=O)N2CC3(COC3)C2)ccc1Nc1n[nH]c2ccccc12.
What is the InChIKey of [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The InChIKey is BWQMVXAGKLYXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3.C11H13NO2/c1-26-17-14(20-16-12-4-2-3-5-13(12)22-23-16)6-7-15(21-17)18(25)24-8-19(9-24)10-27-11-19;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-7H,8-11H2,1H3,(H2,20,22,23);4-8H,2-3H2,1H3,(H,12,13).
What are the key properties of [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide?
[5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide has a molecular weight of 556.62 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 166129323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).