(4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone

C21H25N7O — CID 163357367

IUPAC(4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
SMILESCN1CCN(C(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)CC1
InChIInChI=1S/C21H25N7O/c1-25-5-7-27(8-6-25)21(29)28-4-3-19-17(14-28)10-15-9-16(11-22-20(15)24-19)18-12-23-26(2)13-18/h9-13H,3-8,14H2,1-2H3
InChIKeyKPKBHNMVHBPCLC-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.76
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone

(4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone (PubChem CID 163357367) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
PubChem CID163357367
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name(4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
SMILESCN1CCN(C(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)CC1
InChIInChI=1S/C21H25N7O/c1-25-5-7-27(8-6-25)21(29)28-4-3-19-17(14-28)10-15-9-16(11-22-20(15)24-19)18-12-23-26(2)13-18/h9-13H,3-8,14H2,1-2H3
InChIKeyKPKBHNMVHBPCLC-UHFFFAOYSA-N
XLogP1.76
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone with MolForge

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Related Compounds

(2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
CID 163357468
2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone
CID 163357397
7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 163357484
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 163354303
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone
CID 163354090
N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
CID 172851605
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone
CID 163351889
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 46985716
(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 24731410
(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
CID 24731407
5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one
CID 163356528
3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163354217

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone (CID 163357367) is (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone is CN1CCN(C(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone?
The InChIKey is KPKBHNMVHBPCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-25-5-7-27(8-6-25)21(29)28-4-3-19-17(14-28)10-15-9-16(11-22-20(15)24-19)18-12-23-26(2)13-18/h9-13H,3-8,14H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone?
(4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone is sourced from PubChem (CID 163357367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).