(2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol

C17H18N6O2 — CID 155679546

IUPAC(2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol
SMILESCO[C@@H](CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H18N6O2/c1-25-11(9-24)7-23-8-13-16(22-23)12-3-2-10(14-4-5-19-21-14)6-15(12)20-17(13)18/h2-6,8,11,24H,7,9H2,1H3,(H2,18,20)(H,19,21)/t11-/m1/s1
InChIKeyMBZKIYSOOYFRKB-LLVKDONJSA-N
MW338.37 g/mol
LogP1.56
Rot. Bonds5

About (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol

(2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol (PubChem CID 155679546) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol.

Molecular Properties

Compound Name(2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol
PubChem CID155679546
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name(2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol
SMILESCO[C@@H](CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H18N6O2/c1-25-11(9-24)7-23-8-13-16(22-23)12-3-2-10(14-4-5-19-21-14)6-15(12)20-17(13)18/h2-6,8,11,24H,7,9H2,1H3,(H2,18,20)(H,19,21)/t11-/m1/s1
InChIKeyMBZKIYSOOYFRKB-LLVKDONJSA-N
XLogP1.56
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(R)-1-(4-Methyl-5-(6-(trifluoromethyl)-1H-indazol-4-yl)pyrimidin-2-yl)pyrrolidin-3-ol
CID 89794927
[(2R)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 59473129
4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine
CID 85472971
US10954240, Example 47
CID 118930313
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methylindazol-6-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044878
1-(2-methoxyethyl)-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044887
(3S)-1-[4-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]pyrimidin-2-yl]pyrrolidin-3-ol
CID 127046692
(3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 127047414
(3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 127047981
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(2-methylindazol-6-yl)-2-pyridinyl]amino]propan-2-ol
CID 90335179
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]amino]propan-2-ol
CID 90335244
1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044603

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol?
The IUPAC name of (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol (CID 155679546) is (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol.
What is the SMILES notation for (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol?
The canonical SMILES for (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol is CO[C@@H](CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol?
The InChIKey is MBZKIYSOOYFRKB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-25-11(9-24)7-23-8-13-16(22-23)12-3-2-10(14-4-5-19-21-14)6-15(12)20-17(13)18/h2-6,8,11,24H,7,9H2,1H3,(H2,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol?
(2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol has a molecular weight of 338.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol is sourced from PubChem (CID 155679546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).