(2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol

C17H18FN7O4 — CID 68736639

IUPAC(2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCCOc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cn3)ccc2[N+](=O)[O-])[nH]n1
InChIInChI=1S/C17H18FN7O4/c1-2-29-16-7-15(23-24-16)22-17-13(25(27)28)5-6-14(21-17)20-12(9-26)11-4-3-10(18)8-19-11/h3-8,12,26H,2,9H2,1H3,(H3,20,21,22,23,24)/t12-/m0/s1
InChIKeyRCILATDXAWEBNW-LBPRGKRZSA-N
MW403.37 g/mol
LogP2.53
Rot. Bonds9

About (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol

(2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 68736639) has the molecular formula C17H18FN7O4 and a molecular weight of 403.37 g/mol. Its IUPAC name is (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol
PubChem CID68736639
Molecular FormulaC17H18FN7O4
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC Name(2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCCOc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cn3)ccc2[N+](=O)[O-])[nH]n1
InChIInChI=1S/C17H18FN7O4/c1-2-29-16-7-15(23-24-16)22-17-13(25(27)28)5-6-14(21-17)20-12(9-26)11-4-3-10(18)8-19-11/h3-8,12,26H,2,9H2,1H3,(H3,20,21,22,23,24)/t12-/m0/s1
InChIKeyRCILATDXAWEBNW-LBPRGKRZSA-N
XLogP2.53
TPSA151.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol
CID 69150495
(2R)-2-[[5-chloro-4-[(3-ethoxy-1H-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 68898915
2-[(5,6-difluoro-3-nitro-2-pyridinyl)amino]-2-(5-fluoro-2-pyridinyl)ethanol
CID 68738664
3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
CID 175767533
2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-nitro-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 69150423
(2R)-2-(4-fluorophenyl)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-2-yl]amino]ethanol
CID 69150463
2-[[6-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloro-3-nitro-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 77295150
2-N-(2-chloro-5-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107531868
(2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 86630702
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 25174222
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 91611148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol (CID 68736639) is (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol is CCOc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cn3)ccc2[N+](=O)[O-])[nH]n1.
What is the InChIKey of (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is RCILATDXAWEBNW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN7O4/c1-2-29-16-7-15(23-24-16)22-17-13(25(27)28)5-6-14(21-17)20-12(9-26)11-4-3-10(18)8-19-11/h3-8,12,26H,2,9H2,1H3,(H3,20,21,22,23,24)/t12-/m0/s1.
What are the key properties of (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol?
(2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 403.37 g/mol, XLogP of 2.53, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 68736639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).