6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile

C29H33N9O2 — CID 169267686

IUPAC6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(OC3CCN(C)C3c3ccccn3)c3c(C#N)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C29H33N9O2/c1-19-27(33-34-38(19)22-6-11-36(12-7-22)23-17-39-18-23)20-13-26(28-21(14-30)15-32-37(28)16-20)40-25-8-10-35(2)29(25)24-5-3-4-9-31-24/h3-5,9,13,15-16,22-23,25,29H,6-8,10-12,17-18H2,1-2H3
InChIKeyGHMVAMQPMGMIBT-UHFFFAOYSA-N
MW539.64 g/mol
LogP3.03
Rot. Bonds6

About 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267686) has the molecular formula C29H33N9O2 and a molecular weight of 539.64 g/mol. Its IUPAC name is 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID169267686
Molecular FormulaC29H33N9O2
Molecular Weight539.64 g/mol
Exact Mass539.28
IUPAC Name6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(OC3CCN(C)C3c3ccccn3)c3c(C#N)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C29H33N9O2/c1-19-27(33-34-38(19)22-6-11-36(12-7-22)23-17-39-18-23)20-13-26(28-21(14-30)15-32-37(28)16-20)40-25-8-10-35(2)29(25)24-5-3-4-9-31-24/h3-5,9,13,15-16,22-23,25,29H,6-8,10-12,17-18H2,1-2H3
InChIKeyGHMVAMQPMGMIBT-UHFFFAOYSA-N
XLogP3.03
TPSA109.63 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

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CID 122686402
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CID 122686411
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CID 122686422

Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267686) is 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(OC3CCN(C)C3c3ccccn3)c3c(C#N)cnn3c2)nnn1C1CCN(C2COC2)CC1.
What is the InChIKey of 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GHMVAMQPMGMIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N9O2/c1-19-27(33-34-38(19)22-6-11-36(12-7-22)23-17-39-18-23)20-13-26(28-21(14-30)15-32-37(28)16-20)40-25-8-10-35(2)29(25)24-5-3-4-9-31-24/h3-5,9,13,15-16,22-23,25,29H,6-8,10-12,17-18H2,1-2H3.
What are the key properties of 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 539.64 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).