2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide

C52H69FN12O6 — CID 163440059

IUPAC2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3=O)n2)c(N2CCC3(CC2)CC3)n1.CC(C)(N)CO.O=C(Nc1cccc(N2CCCC2=O)n1)c1ccc(F)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C26H34N6O3.C22H24FN5O2.C4H11NO/c1-25(2,17-33)30-20-9-8-18(23(28-20)31-15-12-26(10-11-26)13-16-31)24(35)29-19-5-3-6-21(27-19)32-14-4-7-22(32)34;23-16-7-6-15(20(24-16)27-13-10-22(8-9-22)11-14-27)21(30)26-17-3-1-4-18(25-17)28-12-2-5-19(28)29;1-4(2,5)3-6/h3,5-6,8-9,33H,4,7,10-17H2,1-2H3,(H,28,30)(H,27,29,35);1,3-4,6-7H,2,5,8-14H2,(H,25,26,30);6H,3,5H2,1-2H3
InChIKeyAXTHXGZWQYDGNM-UHFFFAOYSA-N
MW977.20 g/mol
LogP6.51
Rot. Bonds12

About 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide

2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 163440059) has the molecular formula C52H69FN12O6 and a molecular weight of 977.20 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID163440059
Molecular FormulaC52H69FN12O6
Molecular Weight977.20 g/mol
Exact Mass976.54
IUPAC Name2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3=O)n2)c(N2CCC3(CC2)CC3)n1.CC(C)(N)CO.O=C(Nc1cccc(N2CCCC2=O)n1)c1ccc(F)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C26H34N6O3.C22H24FN5O2.C4H11NO/c1-25(2,17-33)30-20-9-8-18(23(28-20)31-15-12-26(10-11-26)13-16-31)24(35)29-19-5-3-6-21(27-19)32-14-4-7-22(32)34;23-16-7-6-15(20(24-16)27-13-10-22(8-9-22)11-14-27)21(30)26-17-3-1-4-18(25-17)28-12-2-5-19(28)29;1-4(2,5)3-6/h3,5-6,8-9,33H,4,7,10-17H2,1-2H3,(H,28,30)(H,27,29,35);1,3-4,6-7H,2,5,8-14H2,(H,25,26,30);6H,3,5H2,1-2H3
InChIKeyAXTHXGZWQYDGNM-UHFFFAOYSA-N
XLogP6.51
TPSA235.37 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500977.20
LogP ≤ 56.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 146694475
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 149277195
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]pyridine-3-carboxamide
CID 150007737
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 150535119
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-2-pyridinyl]pyridine-3-carboxamide
CID 151510018
2-(6-azaspiro[2.5]octan-6-yl)-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 152127980
2-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 152254266
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153157311
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 153625313
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxyethylamino)-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 153625321
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-ethylmorpholin-4-yl)-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 153625327
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153625332

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 163440059) is 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide is CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(N3CCCC3=O)n2)c(N2CCC3(CC2)CC3)n1.CC(C)(N)CO.O=C(Nc1cccc(N2CCCC2=O)n1)c1ccc(F)nc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is AXTHXGZWQYDGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3.C22H24FN5O2.C4H11NO/c1-25(2,17-33)30-20-9-8-18(23(28-20)31-15-12-26(10-11-26)13-16-31)24(35)29-19-5-3-6-21(27-19)32-14-4-7-22(32)34;23-16-7-6-15(20(24-16)27-13-10-22(8-9-22)11-14-27)21(30)26-17-3-1-4-18(25-17)28-12-2-5-19(28)29;1-4(2,5)3-6/h3,5-6,8-9,33H,4,7,10-17H2,1-2H3,(H,28,30)(H,27,29,35);1,3-4,6-7H,2,5,8-14H2,(H,25,26,30);6H,3,5H2,1-2H3.
What are the key properties of 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 977.20 g/mol, XLogP of 6.51, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropan-1-ol;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 163440059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).