1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea

C17H19FN6O2 — CID 118380823

IUPAC1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea
SMILESCC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN6O2/c1-17(2,26)14(9-3-5-10(18)6-4-9)22-16(25)21-13-7-12-11(8-20-13)15(19)24-23-12/h3-8,14,26H,1-2H3,(H3,19,23,24)(H2,20,21,22,25)/t14-/m0/s1
InChIKeyWYTIMQUAVHENJN-AWEZNQCLSA-N
MW358.38 g/mol
LogP2.31
Rot. Bonds4

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

1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea (PubChem CID 118380823) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea
PubChem CID118380823
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea
SMILESCC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN6O2/c1-17(2,26)14(9-3-5-10(18)6-4-9)22-16(25)21-13-7-12-11(8-20-13)15(19)24-23-12/h3-8,14,26H,1-2H3,(H3,19,23,24)(H2,20,21,22,25)/t14-/m0/s1
InChIKeyWYTIMQUAVHENJN-AWEZNQCLSA-N
XLogP2.31
TPSA128.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea?
The IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea (CID 118380823) is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea.
What is the SMILES notation for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea?
The canonical SMILES for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea is CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2cn1)c1ccc(F)cc1.
What is the InChIKey of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea?
The InChIKey is WYTIMQUAVHENJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19FN6O2/c1-17(2,26)14(9-3-5-10(18)6-4-9)22-16(25)21-13-7-12-11(8-20-13)15(19)24-23-12/h3-8,14,26H,1-2H3,(H3,19,23,24)(H2,20,21,22,25)/t14-/m0/s1.
What are the key properties of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea?
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea has a molecular weight of 358.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea is sourced from PubChem (CID 118380823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).