4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide

C26H34N6O2 — CID 138590946

IUPAC4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
SMILESCn1ncc(-c2cnc3cnc(NC(=O)C4CCC(CO)CC4)cc3c2)c1CN1CCCCC1
InChIInChI=1S/C26H34N6O2/c1-31-24(16-32-9-3-2-4-10-32)22(14-29-31)21-11-20-12-25(28-15-23(20)27-13-21)30-26(34)19-7-5-18(17-33)6-8-19/h11-15,18-19,33H,2-10,16-17H2,1H3,(H,28,30,34)
InChIKeyIATOWWRNWGGTNG-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.75
Rot. Bonds6

About 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide

4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide (PubChem CID 138590946) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
PubChem CID138590946
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
SMILESCn1ncc(-c2cnc3cnc(NC(=O)C4CCC(CO)CC4)cc3c2)c1CN1CCCCC1
InChIInChI=1S/C26H34N6O2/c1-31-24(16-32-9-3-2-4-10-32)22(14-29-31)21-11-20-12-25(28-15-23(20)27-13-21)30-26(34)19-7-5-18(17-33)6-8-19/h11-15,18-19,33H,2-10,16-17H2,1H3,(H,28,30,34)
InChIKeyIATOWWRNWGGTNG-UHFFFAOYSA-N
XLogP3.75
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-(2-methylpropyl)cyclohexane-1-carboxamide
CID 135302487
N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
CID 138586870
N-[1-(2-methoxyethyl)-6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]piperidine-4-carboxamide
CID 140816462
1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
CID 138588479
4-methyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide
CID 157330399
1-benzoyl-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138590658
2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide
CID 138591190
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide
CID 138588999
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
2-(2-fluoroethyl)-N-[2-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 138590634
2-fluoro-2-methyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]propanamide
CID 138587985

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide (CID 138590946) is 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide is Cn1ncc(-c2cnc3cnc(NC(=O)C4CCC(CO)CC4)cc3c2)c1CN1CCCCC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide?
The InChIKey is IATOWWRNWGGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-31-24(16-32-9-3-2-4-10-32)22(14-29-31)21-11-20-12-25(28-15-23(20)27-13-21)30-26(34)19-7-5-18(17-33)6-8-19/h11-15,18-19,33H,2-10,16-17H2,1H3,(H,28,30,34).
What are the key properties of 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138590946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).