N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide

C25H23N5O — CID 156861316

IUPACN-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(-n4nc(C5CC5)cc4C4CC4)nc3)ccc2c1
InChIInChI=1S/C25H23N5O/c1-15(31)27-20-8-10-21-18(12-20)6-9-22(28-21)19-7-11-25(26-14-19)30-24(17-4-5-17)13-23(29-30)16-2-3-16/h6-14,16-17H,2-5H2,1H3,(H,27,31)
InChIKeyKTCPTNSASSXINP-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.20
Rot. Bonds5

About N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide

N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide (PubChem CID 156861316) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide
PubChem CID156861316
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(-n4nc(C5CC5)cc4C4CC4)nc3)ccc2c1
InChIInChI=1S/C25H23N5O/c1-15(31)27-20-8-10-21-18(12-20)6-9-22(28-21)19-7-11-25(26-14-19)30-24(17-4-5-17)13-23(29-30)16-2-3-16/h6-14,16-17H,2-5H2,1H3,(H,27,31)
InChIKeyKTCPTNSASSXINP-UHFFFAOYSA-N
XLogP5.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide?
The IUPAC name of N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide (CID 156861316) is N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3ccc(-n4nc(C5CC5)cc4C4CC4)nc3)ccc2c1.
What is the InChIKey of N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide?
The InChIKey is KTCPTNSASSXINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-15(31)27-20-8-10-21-18(12-20)6-9-22(28-21)19-7-11-25(26-14-19)30-24(17-4-5-17)13-23(29-30)16-2-3-16/h6-14,16-17H,2-5H2,1H3,(H,27,31).
What are the key properties of N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide?
N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide is sourced from PubChem (CID 156861316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).