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

C20H25N5O4 — CID 118365120

IUPAC1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12
InChIInChI=1S/C20H25N5O4/c1-20(2,27)17(13-7-5-4-6-8-13)23-19(26)22-16-11-15-14(12-21-16)18(25-24-15)29-10-9-28-3/h4-8,11-12,17,27H,9-10H2,1-3H3,(H,24,25)(H2,21,22,23,26)/t17-/m0/s1
InChIKeyDGAIMGBFXYHJQY-KRWDZBQOSA-N
MW399.45 g/mol
LogP2.62
Rot. Bonds8

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

1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118365120) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118365120
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12
InChIInChI=1S/C20H25N5O4/c1-20(2,27)17(13-7-5-4-6-8-13)23-19(26)22-16-11-15-14(12-21-16)18(25-24-15)29-10-9-28-3/h4-8,11-12,17,27H,9-10H2,1-3H3,(H,24,25)(H2,21,22,23,26)/t17-/m0/s1
InChIKeyDGAIMGBFXYHJQY-KRWDZBQOSA-N
XLogP2.62
TPSA121.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
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
(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-[3-ethoxy-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxypropyl]urea
CID 73425565
(R)-1-(3-amino-4-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-phenylethyl)urea
CID 73505861
1-[(1S)-2-methoxy-1-phenylethyl]-3-[4-methyl-3-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 76070766
1-[3-(2-hydroxyethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea
CID 76070767

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118365120) is 1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12.
What is the InChIKey of 1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is DGAIMGBFXYHJQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-20(2,27)17(13-7-5-4-6-8-13)23-19(26)22-16-11-15-14(12-21-16)18(25-24-15)29-10-9-28-3/h4-8,11-12,17,27H,9-10H2,1-3H3,(H,24,25)(H2,21,22,23,26)/t17-/m0/s1.
What are the key properties of 1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 399.45 g/mol, XLogP of 2.62, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118365120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).