N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine

C21H26N4O — CID 165137807

IUPACN-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine
SMILESCCCN(CC)c1cc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)ccn1
InChIInChI=1S/C21H26N4O/c1-4-12-25(5-2)19-13-15(8-11-22-19)20-17-14-16(26-21(3)9-10-21)6-7-18(17)23-24-20/h6-8,11,13-14H,4-5,9-10,12H2,1-3H3,(H,23,24)
InChIKeyHLACQYBJTAAVFI-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.79
Rot. Bonds7

About N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine

N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine (PubChem CID 165137807) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine
PubChem CID165137807
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine
SMILESCCCN(CC)c1cc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)ccn1
InChIInChI=1S/C21H26N4O/c1-4-12-25(5-2)19-13-15(8-11-22-19)20-17-14-16(26-21(3)9-10-21)6-7-18(17)23-24-20/h6-8,11,13-14H,4-5,9-10,12H2,1-3H3,(H,23,24)
InChIKeyHLACQYBJTAAVFI-UHFFFAOYSA-N
XLogP4.79
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine?
The IUPAC name of N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine (CID 165137807) is N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine?
The canonical SMILES for N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine is CCCN(CC)c1cc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)ccn1.
What is the InChIKey of N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine?
The InChIKey is HLACQYBJTAAVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-4-12-25(5-2)19-13-15(8-11-22-19)20-17-14-16(26-21(3)9-10-21)6-7-18(17)23-24-20/h6-8,11,13-14H,4-5,9-10,12H2,1-3H3,(H,23,24).
What are the key properties of N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine?
N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine is sourced from PubChem (CID 165137807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).