1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea

C18H20N6O2 — CID 118380907

IUPAC1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea
SMILESNc1n[nH]c2cc(NC(=O)NC(c3ccccc3)[C@H]3CCCO3)ncc12
InChIInChI=1S/C18H20N6O2/c19-17-12-10-20-15(9-13(12)23-24-17)21-18(25)22-16(14-7-4-8-26-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,14,16H,4,7-8H2,(H3,19,23,24)(H2,20,21,22,25)/t14-,16?/m1/s1
InChIKeyGVTWIUPSKQGJTH-IURRXHLWSA-N
MW352.40 g/mol
LogP2.58
Rot. Bonds4

About 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea

1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea (PubChem CID 118380907) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea.

Molecular Properties

Compound Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea
PubChem CID118380907
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea
SMILESNc1n[nH]c2cc(NC(=O)NC(c3ccccc3)[C@H]3CCCO3)ncc12
InChIInChI=1S/C18H20N6O2/c19-17-12-10-20-15(9-13(12)23-24-17)21-18(25)22-16(14-7-4-8-26-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,14,16H,4,7-8H2,(H3,19,23,24)(H2,20,21,22,25)/t14-,16?/m1/s1
InChIKeyGVTWIUPSKQGJTH-IURRXHLWSA-N
XLogP2.58
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea with MolForge

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Related Compounds

1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea
CID 123565254
1-(4-amino-5-carbamimidoyl-2-pyridinyl)-3-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]urea
CID 135293235
1-[3-(oxolan-2-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380817
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 60542644
1-[3-(oxan-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123839512
1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380878
N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 123501107
1-(3-hydroxy-1-phenylpropyl)-3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123314116
1-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555391
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]urea
CID 125136365

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea?
The IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea (CID 118380907) is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea.
What is the SMILES notation for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea?
The canonical SMILES for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea is Nc1n[nH]c2cc(NC(=O)NC(c3ccccc3)[C@H]3CCCO3)ncc12.
What is the InChIKey of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea?
The InChIKey is GVTWIUPSKQGJTH-IURRXHLWSA-N. The full InChI is InChI=1S/C18H20N6O2/c19-17-12-10-20-15(9-13(12)23-24-17)21-18(25)22-16(14-7-4-8-26-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,14,16H,4,7-8H2,(H3,19,23,24)(H2,20,21,22,25)/t14-,16?/m1/s1.
What are the key properties of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea?
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[[(2R)-oxolan-2-yl]-phenylmethyl]urea has a molecular weight of 352.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 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-[[(2R)-oxolan-2-yl]-phenylmethyl]urea is sourced from PubChem (CID 118380907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).