(2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide

C23H24N8O3 — CID 67185002

IUPAC(2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide
SMILESCc1cnc(NC(=O)[C@H](COC2CCC2)Oc2nc(-c3ccncc3C)nc3[nH]ncc23)cn1
InChIInChI=1S/C23H24N8O3/c1-13-8-24-7-6-16(13)20-29-21-17(10-27-31-21)23(30-20)34-18(12-33-15-4-3-5-15)22(32)28-19-11-25-14(2)9-26-19/h6-11,15,18H,3-5,12H2,1-2H3,(H,26,28,32)(H,27,29,30,31)/t18-/m0/s1
InChIKeyLHHJZZNDDWBSAO-SFHVURJKSA-N
MW460.50 g/mol
LogP2.78
Rot. Bonds8

About (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide

(2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide (PubChem CID 67185002) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide
PubChem CID67185002
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name(2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide
SMILESCc1cnc(NC(=O)[C@H](COC2CCC2)Oc2nc(-c3ccncc3C)nc3[nH]ncc23)cn1
InChIInChI=1S/C23H24N8O3/c1-13-8-24-7-6-16(13)20-29-21-17(10-27-31-21)23(30-20)34-18(12-33-15-4-3-5-15)22(32)28-19-11-25-14(2)9-26-19/h6-11,15,18H,3-5,12H2,1-2H3,(H,26,28,32)(H,27,29,30,31)/t18-/m0/s1
InChIKeyLHHJZZNDDWBSAO-SFHVURJKSA-N
XLogP2.78
TPSA140.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide?
The IUPAC name of (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide (CID 67185002) is (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide.
What is the SMILES notation for (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide?
The canonical SMILES for (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide is Cc1cnc(NC(=O)[C@H](COC2CCC2)Oc2nc(-c3ccncc3C)nc3[nH]ncc23)cn1.
What is the InChIKey of (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide?
The InChIKey is LHHJZZNDDWBSAO-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-13-8-24-7-6-16(13)20-29-21-17(10-27-31-21)23(30-20)34-18(12-33-15-4-3-5-15)22(32)28-19-11-25-14(2)9-26-19/h6-11,15,18H,3-5,12H2,1-2H3,(H,26,28,32)(H,27,29,30,31)/t18-/m0/s1.
What are the key properties of (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide?
(2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide has a molecular weight of 460.50 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide is sourced from PubChem (CID 67185002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).