4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one

C21H22N6O — CID 164596655

IUPAC4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one
SMILESNc1nc2ncccc2c2c1[nH]c(=O)n2Cc1cccc(CN2CCCC2)c1
InChIInChI=1S/C21H22N6O/c22-19-17-18(16-7-4-8-23-20(16)25-19)27(21(28)24-17)13-15-6-3-5-14(11-15)12-26-9-1-2-10-26/h3-8,11H,1-2,9-10,12-13H2,(H,24,28)(H2,22,23,25)
InChIKeyOJVIMLFXUQAQHJ-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.50
Rot. Bonds4

About 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one

4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one (PubChem CID 164596655) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one
PubChem CID164596655
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one
SMILESNc1nc2ncccc2c2c1[nH]c(=O)n2Cc1cccc(CN2CCCC2)c1
InChIInChI=1S/C21H22N6O/c22-19-17-18(16-7-4-8-23-20(16)25-19)27(21(28)24-17)13-15-6-3-5-14(11-15)12-26-9-1-2-10-26/h3-8,11H,1-2,9-10,12-13H2,(H,24,28)(H2,22,23,25)
InChIKeyOJVIMLFXUQAQHJ-UHFFFAOYSA-N
XLogP2.50
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one?
The IUPAC name of 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one (CID 164596655) is 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one.
What is the SMILES notation for 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one?
The canonical SMILES for 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one is Nc1nc2ncccc2c2c1[nH]c(=O)n2Cc1cccc(CN2CCCC2)c1.
What is the InChIKey of 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one?
The InChIKey is OJVIMLFXUQAQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-19-17-18(16-7-4-8-23-20(16)25-19)27(21(28)24-17)13-15-6-3-5-14(11-15)12-26-9-1-2-10-26/h3-8,11H,1-2,9-10,12-13H2,(H,24,28)(H2,22,23,25).
What are the key properties of 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one?
4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-imidazo[4,5-c][1,8]naphthyridin-2-one is sourced from PubChem (CID 164596655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).