2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

C24H24N6O2 — CID 167366803

IUPAC2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C(=O)OCCN4CCCC4)cc3n2)n1
InChIInChI=1S/C24H24N6O2/c1-16-5-4-6-21(27-16)23-18(15-26-29-23)19-7-8-20-22(28-19)13-17(14-25-20)24(31)32-12-11-30-9-2-3-10-30/h4-8,13-15H,2-3,9-12H2,1H3,(H,26,29)
InChIKeyGHBSTZRINZYHTD-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.64
Rot. Bonds6

About 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (PubChem CID 167366803) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
PubChem CID167366803
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C(=O)OCCN4CCCC4)cc3n2)n1
InChIInChI=1S/C24H24N6O2/c1-16-5-4-6-21(27-16)23-18(15-26-29-23)19-7-8-20-22(28-19)13-17(14-25-20)24(31)32-12-11-30-9-2-3-10-30/h4-8,13-15H,2-3,9-12H2,1H3,(H,26,29)
InChIKeyGHBSTZRINZYHTD-UHFFFAOYSA-N
XLogP3.64
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (CID 167366803) is 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(C(=O)OCCN4CCCC4)cc3n2)n1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The InChIKey is GHBSTZRINZYHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-5-4-6-21(27-16)23-18(15-26-29-23)19-7-8-20-22(28-19)13-17(14-25-20)24(31)32-12-11-30-9-2-3-10-30/h4-8,13-15H,2-3,9-12H2,1H3,(H,26,29).
What are the key properties of 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate has a molecular weight of 428.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 167366803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).