N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine

C27H34N6O2 — CID 162433469

IUPACN-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
SMILESCOCOc1c(-c2ccc3nc(N4CCC(NC(C)(C)C)C4)ccc3n2)cc2cn(C)nc2c1C
InChIInChI=1S/C27H34N6O2/c1-17-25-18(14-32(5)31-25)13-20(26(17)35-16-34-6)21-7-8-23-22(28-21)9-10-24(29-23)33-12-11-19(15-33)30-27(2,3)4/h7-10,13-14,19,30H,11-12,15-16H2,1-6H3
InChIKeyASPSXEXVFOLIMM-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.44
Rot. Bonds6

About N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine

N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine (PubChem CID 162433469) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
PubChem CID162433469
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
SMILESCOCOc1c(-c2ccc3nc(N4CCC(NC(C)(C)C)C4)ccc3n2)cc2cn(C)nc2c1C
InChIInChI=1S/C27H34N6O2/c1-17-25-18(14-32(5)31-25)13-20(26(17)35-16-34-6)21-7-8-23-22(28-21)9-10-24(29-23)33-12-11-19(15-33)30-27(2,3)4/h7-10,13-14,19,30H,11-12,15-16H2,1-6H3
InChIKeyASPSXEXVFOLIMM-UHFFFAOYSA-N
XLogP4.44
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine?
The IUPAC name of N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine (CID 162433469) is N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine is COCOc1c(-c2ccc3nc(N4CCC(NC(C)(C)C)C4)ccc3n2)cc2cn(C)nc2c1C.
What is the InChIKey of N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine?
The InChIKey is ASPSXEXVFOLIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-17-25-18(14-32(5)31-25)13-20(26(17)35-16-34-6)21-7-8-23-22(28-21)9-10-24(29-23)33-12-11-19(15-33)30-27(2,3)4/h7-10,13-14,19,30H,11-12,15-16H2,1-6H3.
What are the key properties of N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine?
N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine has a molecular weight of 474.61 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 162433469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).