4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine

C26H28N6 — CID 167366936

IUPAC4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C4=CCC(NC(C)C)CC4)cc3n2)n1
InChIInChI=1S/C26H28N6/c1-16(2)29-20-9-7-18(8-10-20)19-13-25-23(27-14-19)12-11-22(31-25)21-15-28-32-26(21)24-6-4-5-17(3)30-24/h4-7,11-16,20,29H,8-10H2,1-3H3,(H,28,32)
InChIKeyNASBSKGBNYDKCA-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.32
Rot. Bonds5

About 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine

4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine (PubChem CID 167366936) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine
PubChem CID167366936
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C4=CCC(NC(C)C)CC4)cc3n2)n1
InChIInChI=1S/C26H28N6/c1-16(2)29-20-9-7-18(8-10-20)19-13-25-23(27-14-19)12-11-22(31-25)21-15-28-32-26(21)24-6-4-5-17(3)30-24/h4-7,11-16,20,29H,8-10H2,1-3H3,(H,28,32)
InChIKeyNASBSKGBNYDKCA-UHFFFAOYSA-N
XLogP5.32
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine?
The IUPAC name of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine (CID 167366936) is 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine?
The canonical SMILES for 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(C4=CCC(NC(C)C)CC4)cc3n2)n1.
What is the InChIKey of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine?
The InChIKey is NASBSKGBNYDKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6/c1-16(2)29-20-9-7-18(8-10-20)19-13-25-23(27-14-19)12-11-22(31-25)21-15-28-32-26(21)24-6-4-5-17(3)30-24/h4-7,11-16,20,29H,8-10H2,1-3H3,(H,28,32).
What are the key properties of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine?
4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine has a molecular weight of 424.55 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 167366936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).