4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H33N7O3 — CID 134435561

IUPAC4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(OCCOC(C)C)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C29H33N7O3/c1-21(2)38-12-13-39-25-14-26(29-24(15-30)18-33-36(29)20-25)23-5-6-27(31-17-23)35-10-8-34(9-11-35)19-22-4-7-28(37-3)32-16-22/h4-7,14,16-18,20-21H,8-13,19H2,1-3H3
InChIKeyQWNNQYJYNCPDIJ-UHFFFAOYSA-N
MW527.63 g/mol
LogP3.80
Rot. Bonds10

About 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435561) has the molecular formula C29H33N7O3 and a molecular weight of 527.63 g/mol. Its IUPAC name is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435561
Molecular FormulaC29H33N7O3
Molecular Weight527.63 g/mol
Exact Mass527.26
IUPAC Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(OCCOC(C)C)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C29H33N7O3/c1-21(2)38-12-13-39-25-14-26(29-24(15-30)18-33-36(29)20-25)23-5-6-27(31-17-23)35-10-8-34(9-11-35)19-22-4-7-28(37-3)32-16-22/h4-7,14,16-18,20-21H,8-13,19H2,1-3H3
InChIKeyQWNNQYJYNCPDIJ-UHFFFAOYSA-N
XLogP3.80
TPSA101.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.63
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435561) is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(OCCOC(C)C)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is QWNNQYJYNCPDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O3/c1-21(2)38-12-13-39-25-14-26(29-24(15-30)18-33-36(29)20-25)23-5-6-27(31-17-23)35-10-8-34(9-11-35)19-22-4-7-28(37-3)32-16-22/h4-7,14,16-18,20-21H,8-13,19H2,1-3H3.
What are the key properties of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 527.63 g/mol, XLogP of 3.80, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).