N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine

C26H29N7O2 — CID 154022437

IUPACN-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine
SMILESCOCCOCCn1cc(N2C(Nc3ccc4[nH]ncc4c3)=CC=CC2C)c(-c2ccccn2)n1
InChIInChI=1S/C26H29N7O2/c1-19-6-5-8-25(29-21-9-10-22-20(16-21)17-28-30-22)33(19)24-18-32(12-13-35-15-14-34-2)31-26(24)23-7-3-4-11-27-23/h3-11,16-19,29H,12-15H2,1-2H3,(H,28,30)
InChIKeyAOHILUYMWBKTMB-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.20
Rot. Bonds10

About N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine

N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine (PubChem CID 154022437) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine
PubChem CID154022437
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine
SMILESCOCCOCCn1cc(N2C(Nc3ccc4[nH]ncc4c3)=CC=CC2C)c(-c2ccccn2)n1
InChIInChI=1S/C26H29N7O2/c1-19-6-5-8-25(29-21-9-10-22-20(16-21)17-28-30-22)33(19)24-18-32(12-13-35-15-14-34-2)31-26(24)23-7-3-4-11-27-23/h3-11,16-19,29H,12-15H2,1-2H3,(H,28,30)
InChIKeyAOHILUYMWBKTMB-UHFFFAOYSA-N
XLogP4.20
TPSA93.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 134452871
5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 172760657
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 134450325
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 160857788
N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638562
2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone
CID 135251791
3-imidazol-1-yl-N-(1H-indazol-5-yl)-5-(2-methoxyethoxy)benzamide
CID 171566281
formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)
CID 158241921
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 89271177
N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 10304079
[4-(2-methoxyethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233752
N-[8-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazol-5-amine
CID 18447422

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine (CID 154022437) is N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine is COCCOCCn1cc(N2C(Nc3ccc4[nH]ncc4c3)=CC=CC2C)c(-c2ccccn2)n1.
What is the InChIKey of N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine?
The InChIKey is AOHILUYMWBKTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-19-6-5-8-25(29-21-9-10-22-20(16-21)17-28-30-22)33(19)24-18-32(12-13-35-15-14-34-2)31-26(24)23-7-3-4-11-27-23/h3-11,16-19,29H,12-15H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine?
N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine has a molecular weight of 471.57 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine is sourced from PubChem (CID 154022437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).