[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone

C27H32N6O3 — CID 58970704

IUPAC[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCOCc1nc2c(N)nc3cc(-c4cccc(C(=O)N5CCCC5)c4)cnc3c2n1CC(C)(C)O
InChIInChI=1S/C27H32N6O3/c1-4-36-15-21-31-23-24(33(21)16-27(2,3)35)22-20(30-25(23)28)13-19(14-29-22)17-8-7-9-18(12-17)26(34)32-10-5-6-11-32/h7-9,12-14,35H,4-6,10-11,15-16H2,1-3H3,(H2,28,30)
InChIKeyASKSUSVVUJFSAQ-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.77
Rot. Bonds7

About [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone

[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 58970704) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID58970704
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCOCc1nc2c(N)nc3cc(-c4cccc(C(=O)N5CCCC5)c4)cnc3c2n1CC(C)(C)O
InChIInChI=1S/C27H32N6O3/c1-4-36-15-21-31-23-24(33(21)16-27(2,3)35)22-20(30-25(23)28)13-19(14-29-22)17-8-7-9-18(12-17)26(34)32-10-5-6-11-32/h7-9,12-14,35H,4-6,10-11,15-16H2,1-3H3,(H2,28,30)
InChIKeyASKSUSVVUJFSAQ-UHFFFAOYSA-N
XLogP3.77
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 58970704) is [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone is CCOCc1nc2c(N)nc3cc(-c4cccc(C(=O)N5CCCC5)c4)cnc3c2n1CC(C)(C)O.
What is the InChIKey of [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ASKSUSVVUJFSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-4-36-15-21-31-23-24(33(21)16-27(2,3)35)22-20(30-25(23)28)13-19(14-29-22)17-8-7-9-18(12-17)26(34)32-10-5-6-11-32/h7-9,12-14,35H,4-6,10-11,15-16H2,1-3H3,(H2,28,30).
What are the key properties of [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 488.59 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58970704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).