(2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide

C22H19ClN8O3 — CID 67184380

IUPAC(2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OC[C@H](Oc1nc(-c2ncccc2Cl)nc2[nH]ncc12)C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C22H19ClN8O3/c1-12(2)33-11-16(21(32)28-17-6-5-13(8-24)9-26-17)34-22-14-10-27-31-19(14)29-20(30-22)18-15(23)4-3-7-25-18/h3-7,9-10,12,16H,11H2,1-2H3,(H,26,28,32)(H,27,29,30,31)/t16-/m0/s1
InChIKeyRAJJLCJCPLKTLQ-INIZCTEOSA-N
MW478.90 g/mol
LogP3.15
Rot. Bonds8

About (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide

(2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide (PubChem CID 67184380) has the molecular formula C22H19ClN8O3 and a molecular weight of 478.90 g/mol. Its IUPAC name is (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound Name(2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide
PubChem CID67184380
Molecular FormulaC22H19ClN8O3
Molecular Weight478.90 g/mol
Exact Mass478.13
IUPAC Name(2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OC[C@H](Oc1nc(-c2ncccc2Cl)nc2[nH]ncc12)C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C22H19ClN8O3/c1-12(2)33-11-16(21(32)28-17-6-5-13(8-24)9-26-17)34-22-14-10-27-31-19(14)29-20(30-22)18-15(23)4-3-7-25-18/h3-7,9-10,12,16H,11H2,1-2H3,(H,26,28,32)(H,27,29,30,31)/t16-/m0/s1
InChIKeyRAJJLCJCPLKTLQ-INIZCTEOSA-N
XLogP3.15
TPSA151.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.90
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-ethoxypropanamide
CID 67184601
2-[[6-(2-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1,2-oxazol-3-yl)-3-propan-2-yloxypropanamide
CID 67186519
3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yloxy]-2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-cyano-2-pyridinyl)propanamide
CID 76550491
(2S)-2-[[6-(2,6-dichlorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-3-(3-hydroxyazetidin-1-yl)-N-pyridin-2-ylpropanamide
CID 67184912
(2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide
CID 91455370
2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 76550400
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
CID 62353732
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yloxy]-2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-fluoro-2-pyridinyl)propanamide
CID 76550493
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide
CID 76550410
N-(5-chloro-2-pyridinyl)-2-(4-cyanophenoxy)propanamide
CID 51140376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide?
The IUPAC name of (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide (CID 67184380) is (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide?
The canonical SMILES for (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide is CC(C)OC[C@H](Oc1nc(-c2ncccc2Cl)nc2[nH]ncc12)C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide?
The InChIKey is RAJJLCJCPLKTLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19ClN8O3/c1-12(2)33-11-16(21(32)28-17-6-5-13(8-24)9-26-17)34-22-14-10-27-31-19(14)29-20(30-22)18-15(23)4-3-7-25-18/h3-7,9-10,12,16H,11H2,1-2H3,(H,26,28,32)(H,27,29,30,31)/t16-/m0/s1.
What are the key properties of (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide?
(2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide has a molecular weight of 478.90 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(3-chloro-2-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-cyano-2-pyridinyl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 67184380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).