1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea

C19H23N5O3 — CID 118365278

IUPAC1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea
SMILESCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12
InChIInChI=1S/C19H23N5O3/c1-4-27-17-13-11-20-15(10-14(13)23-24-17)21-18(25)22-16(19(2,3)26)12-8-6-5-7-9-12/h5-11,16,26H,4H2,1-3H3,(H,23,24)(H2,20,21,22,25)/t16-/m0/s1
InChIKeyGHNZUYVKHZRUSN-INIZCTEOSA-N
MW369.43 g/mol
LogP2.99
Rot. Bonds6

About 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea

1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea (PubChem CID 118365278) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea
PubChem CID118365278
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea
SMILESCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12
InChIInChI=1S/C19H23N5O3/c1-4-27-17-13-11-20-15(10-14(13)23-24-17)21-18(25)22-16(19(2,3)26)12-8-6-5-7-9-12/h5-11,16,26H,4H2,1-3H3,(H,23,24)(H2,20,21,22,25)/t16-/m0/s1
InChIKeyGHNZUYVKHZRUSN-INIZCTEOSA-N
XLogP2.99
TPSA112.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea with MolForge

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Related Compounds

3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555167
1-[3-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 89536143
ERK-IN-2 (free base)
CID 145925680
N-(4-{[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl}phenyl)acetamide
CID 11785059
4-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 56940772
4-[6-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 56942076
N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548850
4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
CID 66829097
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68290829
(5S,9S)-13-ethyl-5-(3-fluoro-4-methoxyphenyl)-9-hydroxy-7-oxa-2,4,13,14,18-pentazatricyclo[9.6.1.012,16]octadeca-1(18),11,14,16-tetraen-3-one
CID 121428526
1-(2-hydroxy-1-phenylethyl)-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555248

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea?
The IUPAC name of 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea (CID 118365278) is 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea.
What is the SMILES notation for 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea?
The canonical SMILES for 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea is CCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12.
What is the InChIKey of 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea?
The InChIKey is GHNZUYVKHZRUSN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-4-27-17-13-11-20-15(10-14(13)23-24-17)21-18(25)22-16(19(2,3)26)12-8-6-5-7-9-12/h5-11,16,26H,4H2,1-3H3,(H,23,24)(H2,20,21,22,25)/t16-/m0/s1.
What are the key properties of 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea?
1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea has a molecular weight of 369.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea is sourced from PubChem (CID 118365278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).