N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide

C27H32N4O2 — CID 54008470

IUPACN,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1CCCCN1C(=O)C=Cc1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C27H32N4O2/c1-3-29(4-2)26(33)20-22-14-8-10-18-30(22)25(32)17-16-23-24-15-9-11-19-31(24)28-27(23)21-12-6-5-7-13-21/h5-7,9,11-13,15-17,19,22H,3-4,8,10,14,18,20H2,1-2H3/t22-/m1/s1
InChIKeyKQOWFRJXZCUGGX-JOCHJYFZSA-N
MW444.58 g/mol
LogP4.65
Rot. Bonds7

About N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide

N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide (PubChem CID 54008470) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide
PubChem CID54008470
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1CCCCN1C(=O)C=Cc1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C27H32N4O2/c1-3-29(4-2)26(33)20-22-14-8-10-18-30(22)25(32)17-16-23-24-15-9-11-19-31(24)28-27(23)21-12-6-5-7-13-21/h5-7,9,11-13,15-17,19,22H,3-4,8,10,14,18,20H2,1-2H3/t22-/m1/s1
InChIKeyKQOWFRJXZCUGGX-JOCHJYFZSA-N
XLogP4.65
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide (CID 54008470) is N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide is CCN(CC)C(=O)C[C@H]1CCCCN1C(=O)C=Cc1c(-c2ccccc2)nn2ccccc12.
What is the InChIKey of N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide?
The InChIKey is KQOWFRJXZCUGGX-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-29(4-2)26(33)20-22-14-8-10-18-30(22)25(32)17-16-23-24-15-9-11-19-31(24)28-27(23)21-12-6-5-7-13-21/h5-7,9,11-13,15-17,19,22H,3-4,8,10,14,18,20H2,1-2H3/t22-/m1/s1.
What are the key properties of N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide?
N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2R)-1-[3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 54008470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).