4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H29N9O — CID 163752925

IUPAC4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCC(Nc3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C29H29N9O/c1-36-18-24(16-33-36)22-11-26(29-23(12-30)15-34-38(29)19-22)21-4-5-27(31-14-21)35-25-7-9-37(10-8-25)17-20-3-6-28(39-2)32-13-20/h3-6,11,13-16,18-19,25H,7-10,17H2,1-2H3,(H,31,35)
InChIKeyLROXDAJCTUTCNN-UHFFFAOYSA-N
MW519.61 g/mol
LogP4.15
Rot. Bonds7

About 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 163752925) has the molecular formula C29H29N9O and a molecular weight of 519.61 g/mol. Its IUPAC name is 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID163752925
Molecular FormulaC29H29N9O
Molecular Weight519.61 g/mol
Exact Mass519.25
IUPAC Name4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCC(Nc3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C29H29N9O/c1-36-18-24(16-33-36)22-11-26(29-23(12-30)15-34-38(29)19-22)21-4-5-27(31-14-21)35-25-7-9-37(10-8-25)17-20-3-6-28(39-2)32-13-20/h3-6,11,13-16,18-19,25H,7-10,17H2,1-2H3,(H,31,35)
InChIKeyLROXDAJCTUTCNN-UHFFFAOYSA-N
XLogP4.15
TPSA109.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 163752925) is 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCC(Nc3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LROXDAJCTUTCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N9O/c1-36-18-24(16-33-36)22-11-26(29-23(12-30)15-34-38(29)19-22)21-4-5-27(31-14-21)35-25-7-9-37(10-8-25)17-20-3-6-28(39-2)32-13-20/h3-6,11,13-16,18-19,25H,7-10,17H2,1-2H3,(H,31,35).
What are the key properties of 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 519.61 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163752925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).