[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol

C20H22N6O3 — CID 163821252

IUPAC[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol
SMILESCCOCCn1cc(NC(O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccccn2)n1
InChIInChI=1S/C20H22N6O3/c1-2-28-10-9-26-13-16(19(25-26)15-5-3-4-8-21-15)24-20(27)18-7-6-17(29-18)14-11-22-23-12-14/h3-8,11-13,20,24,27H,2,9-10H2,1H3,(H,22,23)
InChIKeyNVOYJOWWCXOHES-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.07
Rot. Bonds9

About [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol

[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol (PubChem CID 163821252) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol
PubChem CID163821252
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol
SMILESCCOCCn1cc(NC(O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccccn2)n1
InChIInChI=1S/C20H22N6O3/c1-2-28-10-9-26-13-16(19(25-26)15-5-3-4-8-21-15)24-20(27)18-7-6-17(29-18)14-11-22-23-12-14/h3-8,11-13,20,24,27H,2,9-10H2,1H3,(H,22,23)
InChIKeyNVOYJOWWCXOHES-UHFFFAOYSA-N
XLogP3.07
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638562
5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid
CID 122638653
[4-[5-[[1-(3-ethoxycyclobutyl)-3-[5-[1-[2-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]ethoxy]ethyl]-2-pyridinyl]pyrazol-4-yl]carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 134544220
2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol
CID 135258026
N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638639
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
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638677
N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(5-methyl-1H-pyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide
CID 158122369
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
CID 134450315
N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane
CID 161328772
tris[[4-[5-[[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazol-1-yl]methyl] phosphate
CID 122638556
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 134450325

Frequently Asked Questions

What is the IUPAC name of [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol?
The IUPAC name of [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol (CID 163821252) is [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol.
What is the SMILES notation for [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol?
The canonical SMILES for [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol is CCOCCn1cc(NC(O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccccn2)n1.
What is the InChIKey of [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol?
The InChIKey is NVOYJOWWCXOHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-2-28-10-9-26-13-16(19(25-26)15-5-3-4-8-21-15)24-20(27)18-7-6-17(29-18)14-11-22-23-12-14/h3-8,11-13,20,24,27H,2,9-10H2,1H3,(H,22,23).
What are the key properties of [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol?
[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol has a molecular weight of 394.44 g/mol, XLogP of 3.07, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol is sourced from PubChem (CID 163821252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).