N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline

C25H28ClN5O2 — CID 166128601

IUPACN-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline
SMILESCNc1ccc(OC)cc1.Cc1cc(Nc2n[nH]c3ccccc23)c(Cl)cn1.O=CC1CC1
InChIInChI=1S/C13H11ClN4.C8H11NO.C4H6O/c1-8-6-12(10(14)7-15-8)16-13-9-4-2-3-5-11(9)17-18-13;1-9-7-3-5-8(10-2)6-4-7;5-3-4-1-2-4/h2-7H,1H3,(H2,15,16,17,18);3-6,9H,1-2H3;3-4H,1-2H2
InChIKeyWGHAHIXAWNVTBC-UHFFFAOYSA-N
MW465.99 g/mol
LogP6.00
Rot. Bonds5

About N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline

N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline (PubChem CID 166128601) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline
PubChem CID166128601
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC NameN-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline
SMILESCNc1ccc(OC)cc1.Cc1cc(Nc2n[nH]c3ccccc23)c(Cl)cn1.O=CC1CC1
InChIInChI=1S/C13H11ClN4.C8H11NO.C4H6O/c1-8-6-12(10(14)7-15-8)16-13-9-4-2-3-5-11(9)17-18-13;1-9-7-3-5-8(10-2)6-4-7;5-3-4-1-2-4/h2-7H,1H3,(H2,15,16,17,18);3-6,9H,1-2H3;3-4H,1-2H2
InChIKeyWGHAHIXAWNVTBC-UHFFFAOYSA-N
XLogP6.00
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.99
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

cyclopropanecarbaldehyde;ethane;4-methoxy-N-methylaniline;6-methyl-2-thia-4,7,9,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,11,13,15-heptaene
CID 166129463
(2'S,3S)-2'-[3-[(5-chloro-2-methyl-4-pyridinyl)amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 170328876
N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128780
N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
CID 166129287
(2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline
CID 166129066
ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128483
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128442
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129113
N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128826
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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline?
The IUPAC name of N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline (CID 166128601) is N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline.
What is the SMILES notation for N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline?
The canonical SMILES for N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline is CNc1ccc(OC)cc1.Cc1cc(Nc2n[nH]c3ccccc23)c(Cl)cn1.O=CC1CC1.
What is the InChIKey of N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline?
The InChIKey is WGHAHIXAWNVTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4.C8H11NO.C4H6O/c1-8-6-12(10(14)7-15-8)16-13-9-4-2-3-5-11(9)17-18-13;1-9-7-3-5-8(10-2)6-4-7;5-3-4-1-2-4/h2-7H,1H3,(H2,15,16,17,18);3-6,9H,1-2H3;3-4H,1-2H2.
What are the key properties of N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline?
N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline has a molecular weight of 465.99 g/mol, XLogP of 6.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-4-pyridinyl)-1H-indazol-3-amine;cyclopropanecarbaldehyde;4-methoxy-N-methylaniline is sourced from PubChem (CID 166128601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).