N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide

C24H27N5O2 — CID 155536349

IUPACN-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)CCO5)[nH]n3)cc2)CC1
InChIInChI=1S/C24H27N5O2/c1-29-11-8-20(9-12-29)25-19-5-2-16(3-6-19)24(30)26-23-15-21(27-28-23)17-4-7-22-18(14-17)10-13-31-22/h2-7,14-15,20,25H,8-13H2,1H3,(H2,26,27,28,30)
InChIKeyUVJXOGHWHKUVGT-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.77
Rot. Bonds5

About N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide

N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (PubChem CID 155536349) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
PubChem CID155536349
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)CCO5)[nH]n3)cc2)CC1
InChIInChI=1S/C24H27N5O2/c1-29-11-8-20(9-12-29)25-19-5-2-16(3-6-19)24(30)26-23-15-21(27-28-23)17-4-7-22-18(14-17)10-13-31-22/h2-7,14-15,20,25H,8-13H2,1H3,(H2,26,27,28,30)
InChIKeyUVJXOGHWHKUVGT-UHFFFAOYSA-N
XLogP3.77
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,2-dichloro-1,3-benzodioxol-4-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 175009157
4-[(1-methylpiperidin-4-yl)amino]-N-[5-[3-(thiophen-3-ylmethyl)benzimidazol-5-yl]-1H-pyrazol-3-yl]benzamide
CID 171345520
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
CID 116827285
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131890028
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 71829439
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
N-[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 156588664
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
phenyl N-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate
CID 70654499
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
7-(4-fluoroanilino)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The IUPAC name of N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (CID 155536349) is N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)CCO5)[nH]n3)cc2)CC1.
What is the InChIKey of N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The InChIKey is UVJXOGHWHKUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-29-11-8-20(9-12-29)25-19-5-2-16(3-6-19)24(30)26-23-15-21(27-28-23)17-4-7-22-18(14-17)10-13-31-22/h2-7,14-15,20,25H,8-13H2,1H3,(H2,26,27,28,30).
What are the key properties of N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 155536349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).