1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea

C20H25FN6O2 — CID 118380995

IUPAC1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)NC(c3ccc(F)cc3)C(C)(C)OC)ncc12
InChIInChI=1S/C20H25FN6O2/c1-5-22-18-14-11-23-16(10-15(14)26-27-18)24-19(28)25-17(20(2,3)29-4)12-6-8-13(21)9-7-12/h6-11,17H,5H2,1-4H3,(H2,22,26,27)(H2,23,24,25,28)
InChIKeyXHOZKNUFDOFXBZ-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.82
Rot. Bonds7

About 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea

1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea (PubChem CID 118380995) has the molecular formula C20H25FN6O2 and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea.

Molecular Properties

Compound Name1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea
PubChem CID118380995
Molecular FormulaC20H25FN6O2
Molecular Weight400.46 g/mol
Exact Mass400.20
IUPAC Name1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)NC(c3ccc(F)cc3)C(C)(C)OC)ncc12
InChIInChI=1S/C20H25FN6O2/c1-5-22-18-14-11-23-16(10-15(14)26-27-18)24-19(28)25-17(20(2,3)29-4)12-6-8-13(21)9-7-12/h6-11,17H,5H2,1-4H3,(H2,22,26,27)(H2,23,24,25,28)
InChIKeyXHOZKNUFDOFXBZ-UHFFFAOYSA-N
XLogP3.82
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea?
The IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea (CID 118380995) is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea.
What is the SMILES notation for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea?
The canonical SMILES for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea is CCNc1n[nH]c2cc(NC(=O)NC(c3ccc(F)cc3)C(C)(C)OC)ncc12.
What is the InChIKey of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea?
The InChIKey is XHOZKNUFDOFXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O2/c1-5-22-18-14-11-23-16(10-15(14)26-27-18)24-19(28)25-17(20(2,3)29-4)12-6-8-13(21)9-7-12/h6-11,17H,5H2,1-4H3,(H2,22,26,27)(H2,23,24,25,28).
What are the key properties of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea?
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea has a molecular weight of 400.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea is sourced from PubChem (CID 118380995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).