6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H29N9O — CID 169286253

IUPAC6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn6c5CCC6)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C30H29N9O/c1-40-29-7-4-21(15-33-29)19-36-9-11-37(12-10-36)28-6-5-22(16-32-28)25-13-23(20-39-30(25)24(14-31)17-34-39)26-18-35-38-8-2-3-27(26)38/h4-7,13,15-18,20H,2-3,8-12,19H2,1H3
InChIKeyRQJGLDQSQBZHDJ-UHFFFAOYSA-N
MW531.62 g/mol
LogP3.80
Rot. Bonds6

About 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169286253) has the molecular formula C30H29N9O and a molecular weight of 531.62 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID169286253
Molecular FormulaC30H29N9O
Molecular Weight531.62 g/mol
Exact Mass531.25
IUPAC Name6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn6c5CCC6)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C30H29N9O/c1-40-29-7-4-21(15-33-29)19-36-9-11-37(12-10-36)28-6-5-22(16-32-28)25-13-23(20-39-30(25)24(14-31)17-34-39)26-18-35-38-8-2-3-27(26)38/h4-7,13,15-18,20H,2-3,8-12,19H2,1H3
InChIKeyRQJGLDQSQBZHDJ-UHFFFAOYSA-N
XLogP3.80
TPSA100.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169286253) is 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn6c5CCC6)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is RQJGLDQSQBZHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N9O/c1-40-29-7-4-21(15-33-29)19-36-9-11-37(12-10-36)28-6-5-22(16-32-28)25-13-23(20-39-30(25)24(14-31)17-34-39)26-18-35-38-8-2-3-27(26)38/h4-7,13,15-18,20H,2-3,8-12,19H2,1H3.
What are the key properties of 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 531.62 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169286253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).