5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine

C18H24N4O — CID 97463800

IUPAC5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCn1cc(CN2CCc3c(COCC4CC4)cncc3C2)cn1
InChIInChI=1S/C18H24N4O/c1-21-9-15(6-20-21)10-22-5-4-18-16(11-22)7-19-8-17(18)13-23-12-14-2-3-14/h6-9,14H,2-5,10-13H2,1H3
InChIKeyZHCLQHJCHOYARL-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.30
Rot. Bonds6

About 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine

5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463800) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463800
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCn1cc(CN2CCc3c(COCC4CC4)cncc3C2)cn1
InChIInChI=1S/C18H24N4O/c1-21-9-15(6-20-21)10-22-5-4-18-16(11-22)7-19-8-17(18)13-23-12-14-2-3-14/h6-9,14H,2-5,10-13H2,1H3
InChIKeyZHCLQHJCHOYARL-UHFFFAOYSA-N
XLogP2.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine (CID 97463800) is 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine is Cn1cc(CN2CCc3c(COCC4CC4)cncc3C2)cn1.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is ZHCLQHJCHOYARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-9-15(6-20-21)10-22-5-4-18-16(11-22)7-19-8-17(18)13-23-12-14-2-3-14/h6-9,14H,2-5,10-13H2,1H3.
What are the key properties of 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 312.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).