N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C21H22N6O4 — CID 122638821

IUPACN-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccc(OCC(C)(C)O)cn2)n1
InChIInChI=1S/C21H22N6O4/c1-21(2,29)12-30-14-4-5-15(22-10-14)19-16(11-27(3)26-19)25-20(28)18-7-6-17(31-18)13-8-23-24-9-13/h4-11,29H,12H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyWPTXXHCBOMAVOA-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.87
Rot. Bonds7

About N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 122638821) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID122638821
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccc(OCC(C)(C)O)cn2)n1
InChIInChI=1S/C21H22N6O4/c1-21(2,29)12-30-14-4-5-15(22-10-14)19-16(11-27(3)26-19)25-20(28)18-7-6-17(31-18)13-8-23-24-9-13/h4-11,29H,12H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyWPTXXHCBOMAVOA-UHFFFAOYSA-N
XLogP2.87
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 135258042
3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 175816595
tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate
CID 122638728
N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638639
N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638580
tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);5-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide
CID 158413605
N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134450354
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
CID 134450315
[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 122638673
N-[3-(6-fluoro-2-pyridinyl)-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638611
N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride
CID 158787578
methyl [4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl] hydrogen phosphate
CID 172843695

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 122638821) is N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is Cn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccc(OCC(C)(C)O)cn2)n1.
What is the InChIKey of N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is WPTXXHCBOMAVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-21(2,29)12-30-14-4-5-15(22-10-14)19-16(11-27(3)26-19)25-20(28)18-7-6-17(31-18)13-8-23-24-9-13/h4-11,29H,12H2,1-3H3,(H,23,24)(H,25,28).
What are the key properties of N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 122638821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).