N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C24H30N6O2 — CID 137371002

IUPACN-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C24H30N6O2/c1-28-11-13-29(14-12-28)19-5-6-20(21(15-19)30-9-3-2-4-10-30)27-24(31)23-8-7-22(32-23)18-16-25-26-17-18/h5-8,15-17H,2-4,9-14H2,1H3,(H,25,26)(H,27,31)
InChIKeySVEBMULXXJJEQP-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 137371002) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID137371002
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C24H30N6O2/c1-28-11-13-29(14-12-28)19-5-6-20(21(15-19)30-9-3-2-4-10-30)27-24(31)23-8-7-22(32-23)18-16-25-26-17-18/h5-8,15-17H,2-4,9-14H2,1H3,(H,25,26)(H,27,31)
InChIKeySVEBMULXXJJEQP-UHFFFAOYSA-N
XLogP3.66
TPSA80.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 142511623
N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137370804
N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137370580
N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 126511290
6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide
CID 151398245
3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 175918801
N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 159960805
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354
5-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 3656622
5-cyano-N-[2-(4-fluoropiperidin-1-yl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11540968
N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide
CID 11698112

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 137371002) is N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(N3CCCCC3)c2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is SVEBMULXXJJEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-28-11-13-29(14-12-28)19-5-6-20(21(15-19)30-9-3-2-4-10-30)27-24(31)23-8-7-22(32-23)18-16-25-26-17-18/h5-8,15-17H,2-4,9-14H2,1H3,(H,25,26)(H,27,31).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 137371002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).