2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone

C29H31N7O — CID 159037627

IUPAC2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone
SMILESCN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cncc(NC(C)(C)C)n5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C29H31N7O/c1-29(2,3)35-28-18-30-16-26(34-28)22-11-21-12-23(32-17-25(21)33-15-22)14-27(37)20-5-8-31-24(13-20)19-6-9-36(4)10-7-19/h5-6,8,11-13,15-18H,7,9-10,14H2,1-4H3,(H,34,35)
InChIKeyJVQPLPAEJRJQDC-UHFFFAOYSA-N
MW493.62 g/mol
LogP4.84
Rot. Bonds6

About 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone

2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone (PubChem CID 159037627) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone
PubChem CID159037627
Molecular FormulaC29H31N7O
Molecular Weight493.62 g/mol
Exact Mass493.26
IUPAC Name2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone
SMILESCN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cncc(NC(C)(C)C)n5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C29H31N7O/c1-29(2,3)35-28-18-30-16-26(34-28)22-11-21-12-23(32-17-25(21)33-15-22)14-27(37)20-5-8-31-24(13-20)19-6-9-36(4)10-7-19/h5-6,8,11-13,15-18H,7,9-10,14H2,1-4H3,(H,34,35)
InChIKeyJVQPLPAEJRJQDC-UHFFFAOYSA-N
XLogP4.84
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone?
The IUPAC name of 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone (CID 159037627) is 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone.
What is the SMILES notation for 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone?
The canonical SMILES for 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone is CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cncc(NC(C)(C)C)n5)cnc4cn3)ccn2)CC1.
What is the InChIKey of 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone?
The InChIKey is JVQPLPAEJRJQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O/c1-29(2,3)35-28-18-30-16-26(34-28)22-11-21-12-23(32-17-25(21)33-15-22)14-27(37)20-5-8-31-24(13-20)19-6-9-36(4)10-7-19/h5-6,8,11-13,15-18H,7,9-10,14H2,1-4H3,(H,34,35).
What are the key properties of 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone?
2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone has a molecular weight of 493.62 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone is sourced from PubChem (CID 159037627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).