N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide

C26H28ClN7O3 — CID 166128780

IUPACN-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1.Clc1cnc(N2CCOCC2)nc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H15ClN6O.C11H13NO2/c16-11-9-17-15(22-5-7-23-8-6-22)19-14(11)18-13-10-3-1-2-4-12(10)20-21-13;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h1-4,9H,5-8H2,(H2,17,18,19,20,21);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyAZXWVPDHXQSOFF-UHFFFAOYSA-N
MW522.01 g/mol
LogP4.63
Rot. Bonds6

About N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide

N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide (PubChem CID 166128780) has the molecular formula C26H28ClN7O3 and a molecular weight of 522.01 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
PubChem CID166128780
Molecular FormulaC26H28ClN7O3
Molecular Weight522.01 g/mol
Exact Mass521.19
IUPAC NameN-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1.Clc1cnc(N2CCOCC2)nc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H15ClN6O.C11H13NO2/c16-11-9-17-15(22-5-7-23-8-6-22)19-14(11)18-13-10-3-1-2-4-12(10)20-21-13;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h1-4,9H,5-8H2,(H2,17,18,19,20,21);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyAZXWVPDHXQSOFF-UHFFFAOYSA-N
XLogP4.63
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.01
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128826
N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
CID 166129289
N-[5-methoxy-2-(oxetan-3-yl)pyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129181
N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128980
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128442
N-(5-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methylphenyl)cyclopropanecarboxamide
CID 166129496
[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;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129113
ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128483
N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine
CID 166129433
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 24997391

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide (CID 166128780) is N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide is COc1ccc(NC(=O)C2CC2)cc1.Clc1cnc(N2CCOCC2)nc1Nc1n[nH]c2ccccc12.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The InChIKey is AZXWVPDHXQSOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O.C11H13NO2/c16-11-9-17-15(22-5-7-23-8-6-22)19-14(11)18-13-10-3-1-2-4-12(10)20-21-13;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h1-4,9H,5-8H2,(H2,17,18,19,20,21);4-8H,2-3H2,1H3,(H,12,13).
What are the key properties of N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide?
N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide has a molecular weight of 522.01 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 166128780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).