N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide

C23H22N5O2+ — CID 142527646

IUPACN-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide
SMILESCO[n+]1cc(-c2ccc(-c3cnn(C)c3)cc2)c2cc(C(=O)NC3CC3)cnc2c1
InChIInChI=1S/C23H21N5O2/c1-27-12-18(11-25-27)15-3-5-16(6-4-15)21-13-28(30-2)14-22-20(21)9-17(10-24-22)23(29)26-19-7-8-19/h3-6,9-14,19H,7-8H2,1-2H3/p+1
InChIKeyCURPFSQEMGKAKE-UHFFFAOYSA-O
MW400.46 g/mol
LogP2.54
Rot. Bonds5

About N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide

N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide (PubChem CID 142527646) has the molecular formula C23H22N5O2+ and a molecular weight of 400.46 g/mol. Its IUPAC name is N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide
PubChem CID142527646
Molecular FormulaC23H22N5O2+
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC NameN-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide
SMILESCO[n+]1cc(-c2ccc(-c3cnn(C)c3)cc2)c2cc(C(=O)NC3CC3)cnc2c1
InChIInChI=1S/C23H21N5O2/c1-27-12-18(11-25-27)15-3-5-16(6-4-15)21-13-28(30-2)14-22-20(21)9-17(10-24-22)23(29)26-19-7-8-19/h3-6,9-14,19H,7-8H2,1-2H3/p+1
InChIKeyCURPFSQEMGKAKE-UHFFFAOYSA-O
XLogP2.54
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide (CID 142527646) is N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide is CO[n+]1cc(-c2ccc(-c3cnn(C)c3)cc2)c2cc(C(=O)NC3CC3)cnc2c1.
What is the InChIKey of N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide?
The InChIKey is CURPFSQEMGKAKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H21N5O2/c1-27-12-18(11-25-27)15-3-5-16(6-4-15)21-13-28(30-2)14-22-20(21)9-17(10-24-22)23(29)26-19-7-8-19/h3-6,9-14,19H,7-8H2,1-2H3/p+1.
What are the key properties of N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide?
N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide is sourced from PubChem (CID 142527646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).