N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide

C26H29N7O3 — CID 166128826

IUPACN-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1.COc1cnc(N2CCC2)nc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H16N6O.C11H13NO2/c1-22-12-9-16-15(21-7-4-8-21)18-14(12)17-13-10-5-2-3-6-11(10)19-20-13;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-3,5-6,9H,4,7-8H2,1H3,(H2,16,17,18,19,20);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyBAOAGPIUZKWFAF-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.36
Rot. Bonds7

About N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide

N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide (PubChem CID 166128826) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
PubChem CID166128826
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC NameN-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1.COc1cnc(N2CCC2)nc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H16N6O.C11H13NO2/c1-22-12-9-16-15(21-7-4-8-21)18-14(12)17-13-10-5-2-3-6-11(10)19-20-13;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-3,5-6,9H,4,7-8H2,1H3,(H2,16,17,18,19,20);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyBAOAGPIUZKWFAF-UHFFFAOYSA-N
XLogP4.36
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
CID 166129289
N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128780
N-[5-methoxy-2-(oxetan-3-yl)pyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129181
N-(5-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methylphenyl)cyclopropanecarboxamide
CID 166129496
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128442
N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128980
ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128483
ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129113
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
[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
ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129027
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The IUPAC name of N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide (CID 166128826) is N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide is COc1ccc(NC(=O)C2CC2)cc1.COc1cnc(N2CCC2)nc1Nc1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The InChIKey is BAOAGPIUZKWFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O.C11H13NO2/c1-22-12-9-16-15(21-7-4-8-21)18-14(12)17-13-10-5-2-3-6-11(10)19-20-13;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-3,5-6,9H,4,7-8H2,1H3,(H2,16,17,18,19,20);4-8H,2-3H2,1H3,(H,12,13).
What are the key properties of N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide?
N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 166128826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).