4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride

C64H72ClFN14O6 — CID 165015782

IUPAC4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride
SMILESCC(C)(O)COc1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.COc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CN(c4ccc(-c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn4)C[C@H]23)cn1.COc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)cn1.Cl
InChIInChI=1S/C32H35N7O3.C17H15FN4O2.C15H21N3O.ClH/c1-32(2,40)19-42-23-10-24(31-22(11-33)14-36-39(31)16-23)21-5-8-29(34-13-21)37-17-25-26(18-37)28-7-6-27(25)38(28)15-20-4-9-30(41-3)35-12-20;1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-7-11)16-12(6-19)8-21-22(16)9-13;1-19-15-5-2-10(6-17-15)9-18-13-3-4-14(18)12-8-16-7-11(12)13;/h4-5,8-10,12-14,16,25-28,40H,6-7,15,17-19H2,1-3H3;3-5,7-9,23H,10H2,1-2H3;2,5-6,11-14,16H,3-4,7-9H2,1H3;1H/t25-,26+,27-,28+;;11-,12+,13-,14+;
InChIKeyYYTRIJJKEBKBHE-SSOAYBOISA-N
MW1187.82 g/mol
LogP8.17
Rot. Bonds15

About 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride

4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride (PubChem CID 165015782) has the molecular formula C64H72ClFN14O6 and a molecular weight of 1187.82 g/mol. Its IUPAC name is 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride.

Molecular Properties

Compound Name4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride
PubChem CID165015782
Molecular FormulaC64H72ClFN14O6
Molecular Weight1187.82 g/mol
Exact Mass1186.54
IUPAC Name4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride
SMILESCC(C)(O)COc1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.COc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CN(c4ccc(-c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn4)C[C@H]23)cn1.COc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)cn1.Cl
InChIInChI=1S/C32H35N7O3.C17H15FN4O2.C15H21N3O.ClH/c1-32(2,40)19-42-23-10-24(31-22(11-33)14-36-39(31)16-23)21-5-8-29(34-13-21)37-17-25-26(18-37)28-7-6-27(25)38(28)15-20-4-9-30(41-3)35-12-20;1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-7-11)16-12(6-19)8-21-22(16)9-13;1-19-15-5-2-10(6-17-15)9-18-13-3-4-14(18)12-8-16-7-11(12)13;/h4-5,8-10,12-14,16,25-28,40H,6-7,15,17-19H2,1-3H3;3-5,7-9,23H,10H2,1-2H3;2,5-6,11-14,16H,3-4,7-9H2,1H3;1H/t25-,26+,27-,28+;;11-,12+,13-,14+;
InChIKeyYYTRIJJKEBKBHE-SSOAYBOISA-N
XLogP8.17
TPSA232.87 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.82
LogP ≤ 58.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride?
The IUPAC name of 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride (CID 165015782) is 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride.
What is the SMILES notation for 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride?
The canonical SMILES for 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride is CC(C)(O)COc1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.COc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CN(c4ccc(-c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn4)C[C@H]23)cn1.COc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)cn1.Cl.
What is the InChIKey of 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride?
The InChIKey is YYTRIJJKEBKBHE-SSOAYBOISA-N. The full InChI is InChI=1S/C32H35N7O3.C17H15FN4O2.C15H21N3O.ClH/c1-32(2,40)19-42-23-10-24(31-22(11-33)14-36-39(31)16-23)21-5-8-29(34-13-21)37-17-25-26(18-37)28-7-6-27(25)38(28)15-20-4-9-30(41-3)35-12-20;1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-7-11)16-12(6-19)8-21-22(16)9-13;1-19-15-5-2-10(6-17-15)9-18-13-3-4-14(18)12-8-16-7-11(12)13;/h4-5,8-10,12-14,16,25-28,40H,6-7,15,17-19H2,1-3H3;3-5,7-9,23H,10H2,1-2H3;2,5-6,11-14,16H,3-4,7-9H2,1H3;1H/t25-,26+,27-,28+;;11-,12+,13-,14+;.
What are the key properties of 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride?
4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride has a molecular weight of 1187.82 g/mol, XLogP of 8.17, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;(1S,2R,6S,7R)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride is sourced from PubChem (CID 165015782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).