2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile

C25H26N10O3 — CID 164558992

About 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile

2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile (PubChem CID 164558992) has the molecular formula C25H26N10O3 and a molecular weight of 514.55 g/mol. Its IUPAC name is 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile.

Molecular Properties

• Compound Name: 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile
• PubChem CID: 164558992
• Molecular Formula: C25H26N10O3
• Molecular Weight: 514.55 g/mol
• Exact Mass: 514.22
• IUPAC Name: 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile
• SMILES: Cn1c(Nc2cc(C(C)(C)C)n([C@@H]3COC[C@H]3O)n2)nc2ncc(Oc3cnn4ccncc34)c(C#N)c21
• InChI: InChI=1S/C25H26N10O3/c1-25(2,3)20-7-21(32-35(20)16-12-37-13-17(16)36)30-24-31-23-22(33(24)4)14(8-26)18(10-28-23)38-19-11-29-34-6-5-27-9-15(19)34/h5-7,9-11,16-17,36H,12-13H2,1-4H3,(H,28,30,31,32)/t16-,17-/m1/s1
• InChIKey: WOKINPAWTMMZQM-IAGOWNOFSA-N
• XLogP: 2.84
• TPSA: 153.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile?

The IUPAC name of 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile (CID 164558992) is 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile.

What is the SMILES notation for 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile?

The canonical SMILES for 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile is Cn1c(Nc2cc(C(C)(C)C)n([C@@H]3COC[C@H]3O)n2)nc2ncc(Oc3cnn4ccncc34)c(C#N)c21.

What is the InChIKey of 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile?

The InChIKey is WOKINPAWTMMZQM-IAGOWNOFSA-N. The full InChI is InChI=1S/C25H26N10O3/c1-25(2,3)20-7-21(32-35(20)16-12-37-13-17(16)36)30-24-31-23-22(33(24)4)14(8-26)18(10-28-23)38-19-11-29-34-6-5-27-9-15(19)34/h5-7,9-11,16-17,36H,12-13H2,1-4H3,(H,28,30,31,32)/t16-,17-/m1/s1.

What are the key properties of 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile?

2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile has a molecular weight of 514.55 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-tert-butyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]amino]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile is sourced from PubChem (CID 164558992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).