1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea

C22H33N7O3 — CID 58869102

IUPAC1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea
SMILESCCOCc1nc2c(N)nc3cccnc3c2n1CCCC(C)N(OC)C(=O)NC(C)C
InChIInChI=1S/C22H33N7O3/c1-6-32-13-17-27-19-20(18-16(26-21(19)23)10-7-11-24-18)28(17)12-8-9-15(4)29(31-5)22(30)25-14(2)3/h7,10-11,14-15H,6,8-9,12-13H2,1-5H3,(H2,23,26)(H,25,30)
InChIKeyOIJIYLYKHASXEI-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.25
Rot. Bonds10

About 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea

1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea (PubChem CID 58869102) has the molecular formula C22H33N7O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea
PubChem CID58869102
Molecular FormulaC22H33N7O3
Molecular Weight443.55 g/mol
Exact Mass443.26
IUPAC Name1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea
SMILESCCOCc1nc2c(N)nc3cccnc3c2n1CCCC(C)N(OC)C(=O)NC(C)C
InChIInChI=1S/C22H33N7O3/c1-6-32-13-17-27-19-20(18-16(26-21(19)23)10-7-11-24-18)28(17)12-8-9-15(4)29(31-5)22(30)25-14(2)3/h7,10-11,14-15H,6,8-9,12-13H2,1-5H3,(H2,23,26)(H,25,30)
InChIKeyOIJIYLYKHASXEI-UHFFFAOYSA-N
XLogP3.25
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide
CID 162737189
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
CID 58869112
1-(2-aminoethyl)-2-(methoxymethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 68936410
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
CID 10001667
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea?
The IUPAC name of 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea (CID 58869102) is 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea is CCOCc1nc2c(N)nc3cccnc3c2n1CCCC(C)N(OC)C(=O)NC(C)C.
What is the InChIKey of 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea?
The InChIKey is OIJIYLYKHASXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O3/c1-6-32-13-17-27-19-20(18-16(26-21(19)23)10-7-11-24-18)28(17)12-8-9-15(4)29(31-5)22(30)25-14(2)3/h7,10-11,14-15H,6,8-9,12-13H2,1-5H3,(H2,23,26)(H,25,30).
What are the key properties of 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea?
1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea has a molecular weight of 443.55 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea is sourced from PubChem (CID 58869102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).