N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C22H23N5O2 — CID 175645395

IUPACN-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCC(n2cc(-c3cnccn3)cn2)CC1)C1Cc2ccccc2O1
InChIInChI=1S/C22H23N5O2/c28-22(21-11-15-3-1-2-4-20(15)29-21)26-17-5-7-18(8-6-17)27-14-16(12-25-27)19-13-23-9-10-24-19/h1-4,9-10,12-14,17-18,21H,5-8,11H2,(H,26,28)
InChIKeyAJRMSODDGCCSJX-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.94
Rot. Bonds4

About N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 175645395) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID175645395
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCC(n2cc(-c3cnccn3)cn2)CC1)C1Cc2ccccc2O1
InChIInChI=1S/C22H23N5O2/c28-22(21-11-15-3-1-2-4-20(15)29-21)26-17-5-7-18(8-6-17)27-14-16(12-25-27)19-13-23-9-10-24-19/h1-4,9-10,12-14,17-18,21H,5-8,11H2,(H,26,28)
InChIKeyAJRMSODDGCCSJX-UHFFFAOYSA-N
XLogP2.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 176507080
2-(dimethylamino)-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]acetamide
CID 175644408
3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide
CID 176502237
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91789807
N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42886348
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032698
N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796963
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51098013
1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea
CID 175645470
(2R)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95765845

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 175645395) is N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC1CCC(n2cc(-c3cnccn3)cn2)CC1)C1Cc2ccccc2O1.
What is the InChIKey of N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is AJRMSODDGCCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(21-11-15-3-1-2-4-20(15)29-21)26-17-5-7-18(8-6-17)27-14-16(12-25-27)19-13-23-9-10-24-19/h1-4,9-10,12-14,17-18,21H,5-8,11H2,(H,26,28).
What are the key properties of N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 175645395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).