1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine

C25H26N8O — CID 178122466

IUPAC1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(C#Cc2ccc(CN3CCOCC3)cn2)c2cc(Nc3ccn(C)n3)ncc12
InChIInChI=1S/C25H26N8O/c1-26-25-22-16-28-24(30-23-7-8-32(2)31-23)13-21(22)19(15-29-25)4-6-20-5-3-18(14-27-20)17-33-9-11-34-12-10-33/h3,5,7-8,13-16H,9-12,17H2,1-2H3,(H,26,29)(H,28,30,31)
InChIKeyDEOMKBABRAGPKL-UHFFFAOYSA-N
MW454.54 g/mol
LogP2.78
Rot. Bonds5

About 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine

1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine (PubChem CID 178122466) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine
PubChem CID178122466
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC Name1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(C#Cc2ccc(CN3CCOCC3)cn2)c2cc(Nc3ccn(C)n3)ncc12
InChIInChI=1S/C25H26N8O/c1-26-25-22-16-28-24(30-23-7-8-32(2)31-23)13-21(22)19(15-29-25)4-6-20-5-3-18(14-27-20)17-33-9-11-34-12-10-33/h3,5,7-8,13-16H,9-12,17H2,1-2H3,(H,26,29)(H,28,30,31)
InChIKeyDEOMKBABRAGPKL-UHFFFAOYSA-N
XLogP2.78
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[8-(methylamino)-5-[2-[5-(1,2,4-triazol-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121846
N-[8-(methylamino)-5-[2-[5-[(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121692
8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine
CID 178122106
6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine
CID 141200725
cis-(1S,2R)-2-methyl-N-[8-(methylamino)-5-[2-[5-[[(3S)-4-methylmorpholin-3-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 178121777
N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527
N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677939
N-[5-[2-[5-(difluoromethyl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677537
3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide
CID 170677854
1-fluoro-N-[8-(methylamino)-5-[2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 178121592
N-[5-[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121927
N-[5-[2-[5-[[(2S)-2-cyanoazetidin-1-yl]methyl]-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178121774

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine (CID 178122466) is 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine is CNc1ncc(C#Cc2ccc(CN3CCOCC3)cn2)c2cc(Nc3ccn(C)n3)ncc12.
What is the InChIKey of 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine?
The InChIKey is DEOMKBABRAGPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c1-26-25-22-16-28-24(30-23-7-8-32(2)31-23)13-21(22)19(15-29-25)4-6-20-5-3-18(14-27-20)17-33-9-11-34-12-10-33/h3,5,7-8,13-16H,9-12,17H2,1-2H3,(H,26,29)(H,28,30,31).
What are the key properties of 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine?
1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine has a molecular weight of 454.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 178122466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).