1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C17H20N6O2 — CID 118381189

IUPAC1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCNc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12
InChIInChI=1S/C17H20N6O2/c1-18-16-12-9-19-15(8-13(12)22-23-16)21-17(24)20-14(10-25-2)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3,(H2,18,22,23)(H2,19,20,21,24)/t14-/m1/s1
InChIKeyAJQQOFOHIQDDEM-CQSZACIVSA-N
MW340.39 g/mol
LogP2.51
Rot. Bonds6

About 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118381189) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118381189
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCNc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12
InChIInChI=1S/C17H20N6O2/c1-18-16-12-9-19-15(8-13(12)22-23-16)21-17(24)20-14(10-25-2)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3,(H2,18,22,23)(H2,19,20,21,24)/t14-/m1/s1
InChIKeyAJQQOFOHIQDDEM-CQSZACIVSA-N
XLogP2.51
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-[[(1S)-2-methoxy-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395363
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2,2,2-trifluoroethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381024
1-[3-(2-chloroanilino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea
CID 123499484
1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123543737
1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea
CID 123521622
1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123603338
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555095
1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365348
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
CID 118272221
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381002

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118381189) is 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is CNc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12.
What is the InChIKey of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is AJQQOFOHIQDDEM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-18-16-12-9-19-15(8-13(12)22-23-16)21-17(24)20-14(10-25-2)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3,(H2,18,22,23)(H2,19,20,21,24)/t14-/m1/s1.
What are the key properties of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 340.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118381189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).