1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea

C17H19FN6O — CID 118380890

IUPAC1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12
InChIInChI=1S/C17H19FN6O/c1-3-19-16-13-9-20-15(8-14(13)23-24-16)22-17(25)21-10(2)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25)/t10-/m1/s1
InChIKeyMRVUFAQGXDMPCK-SNVBAGLBSA-N
MW342.38 g/mol
LogP3.41
Rot. Bonds5

About 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea

1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea (PubChem CID 118380890) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
PubChem CID118380890
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12
InChIInChI=1S/C17H19FN6O/c1-3-19-16-13-9-20-15(8-14(13)23-24-16)22-17(25)21-10(2)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25)/t10-/m1/s1
InChIKeyMRVUFAQGXDMPCK-SNVBAGLBSA-N
XLogP3.41
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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-[(1R)-1-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea (CID 118380890) is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea is CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)ncc12.
What is the InChIKey of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
The InChIKey is MRVUFAQGXDMPCK-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-3-19-16-13-9-20-15(8-14(13)23-24-16)22-17(25)21-10(2)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25)/t10-/m1/s1.
What are the key properties of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea has a molecular weight of 342.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 118380890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).