N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide

C25H25N5O2 — CID 91887979

IUPACN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4ccc5ncccc5c4)C3)n[nH]2)cc1
InChIInChI=1S/C25H25N5O2/c1-32-21-9-6-17(7-10-21)23-15-24(29-28-23)30-13-3-5-20(16-30)27-25(31)19-8-11-22-18(14-19)4-2-12-26-22/h2,4,6-12,14-15,20H,3,5,13,16H2,1H3,(H,27,31)(H,28,29)
InChIKeyQQDOLDQWNGOVJU-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.03
Rot. Bonds5

About N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide

N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide (PubChem CID 91887979) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide
PubChem CID91887979
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4ccc5ncccc5c4)C3)n[nH]2)cc1
InChIInChI=1S/C25H25N5O2/c1-32-21-9-6-17(7-10-21)23-15-24(29-28-23)30-13-3-5-20(16-30)27-25(31)19-8-11-22-18(14-19)4-2-12-26-22/h2,4,6-12,14-15,20H,3,5,13,16H2,1H3,(H,27,31)(H,28,29)
InChIKeyQQDOLDQWNGOVJU-UHFFFAOYSA-N
XLogP4.03
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide?
The IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide (CID 91887979) is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide is COc1ccc(-c2cc(N3CCCC(NC(=O)c4ccc5ncccc5c4)C3)n[nH]2)cc1.
What is the InChIKey of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide?
The InChIKey is QQDOLDQWNGOVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-32-21-9-6-17(7-10-21)23-15-24(29-28-23)30-13-3-5-20(16-30)27-25(31)19-8-11-22-18(14-19)4-2-12-26-22/h2,4,6-12,14-15,20H,3,5,13,16H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide?
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 91887979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).