(2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

C30H30N6O4 — CID 155406312

IUPAC(2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3C[C@@H]4C(NC(=O)[C@H](O)c5ccccc5)[C@@H]4C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H30N6O4/c1-30(2,39)17-40-21-10-22(27-20(11-31)13-33-36(27)14-21)19-8-9-25(32-12-19)35-15-23-24(16-35)26(23)34-29(38)28(37)18-6-4-3-5-7-18/h3-10,12-14,23-24,26,28,37,39H,15-17H2,1-2H3,(H,34,38)/t23-,24+,26?,28-/m1/s1
InChIKeyHSAZSMKIQWYSOI-LOTHTAAMSA-N
MW538.61 g/mol
LogP2.70
Rot. Bonds8

About (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

(2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 155406312) has the molecular formula C30H30N6O4 and a molecular weight of 538.61 g/mol. Its IUPAC name is (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
PubChem CID155406312
Molecular FormulaC30H30N6O4
Molecular Weight538.61 g/mol
Exact Mass538.23
IUPAC Name(2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3C[C@@H]4C(NC(=O)[C@H](O)c5ccccc5)[C@@H]4C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H30N6O4/c1-30(2,39)17-40-21-10-22(27-20(11-31)13-33-36(27)14-21)19-8-9-25(32-12-19)35-15-23-24(16-35)26(23)34-29(38)28(37)18-6-4-3-5-7-18/h3-10,12-14,23-24,26,28,37,39H,15-17H2,1-2H3,(H,34,38)/t23-,24+,26?,28-/m1/s1
InChIKeyHSAZSMKIQWYSOI-LOTHTAAMSA-N
XLogP2.70
TPSA136.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.61
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide with MolForge

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Related Compounds

4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155388179
6-(2-hydroxy-2-methylpropoxy)-4-[6-(3-phenylmethoxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436245
(3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide
CID 134434668
6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxyethoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435814
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroacetyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436551
4-[6-[4-[fluoro(phenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435752
2-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6-fluorobenzamide
CID 164818267
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-methylbenzamide
CID 134434610
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134437142
6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134553357
4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134497146

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (CID 155406312) is (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is CC(C)(O)COc1cc(-c2ccc(N3C[C@@H]4C(NC(=O)[C@H](O)c5ccccc5)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is HSAZSMKIQWYSOI-LOTHTAAMSA-N. The full InChI is InChI=1S/C30H30N6O4/c1-30(2,39)17-40-21-10-22(27-20(11-31)13-33-36(27)14-21)19-8-9-25(32-12-19)35-15-23-24(16-35)26(23)34-29(38)28(37)18-6-4-3-5-7-18/h3-10,12-14,23-24,26,28,37,39H,15-17H2,1-2H3,(H,34,38)/t23-,24+,26?,28-/m1/s1.
What are the key properties of (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
(2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 538.61 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 155406312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).