5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile

C22H25N7O — CID 132766139

IUPAC5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
SMILESCOc1c(CN2CCCC2c2cccc(Nc3ccc(C#N)nc3)n2)c(C)nn1C
InChIInChI=1S/C22H25N7O/c1-15-18(22(30-3)28(2)27-15)14-29-11-5-7-20(29)19-6-4-8-21(26-19)25-17-10-9-16(12-23)24-13-17/h4,6,8-10,13,20H,5,7,11,14H2,1-3H3,(H,25,26)
InChIKeyRXCHCLGVVAZFJJ-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.48
Rot. Bonds6

About 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile

5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile (PubChem CID 132766139) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
PubChem CID132766139
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
SMILESCOc1c(CN2CCCC2c2cccc(Nc3ccc(C#N)nc3)n2)c(C)nn1C
InChIInChI=1S/C22H25N7O/c1-15-18(22(30-3)28(2)27-15)14-29-11-5-7-20(29)19-6-4-8-21(26-19)25-17-10-9-16(12-23)24-13-17/h4,6,8-10,13,20H,5,7,11,14H2,1-3H3,(H,25,26)
InChIKeyRXCHCLGVVAZFJJ-UHFFFAOYSA-N
XLogP3.48
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile (CID 132766139) is 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile is COc1c(CN2CCCC2c2cccc(Nc3ccc(C#N)nc3)n2)c(C)nn1C.
What is the InChIKey of 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile?
The InChIKey is RXCHCLGVVAZFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-15-18(22(30-3)28(2)27-15)14-29-11-5-7-20(29)19-6-4-8-21(26-19)25-17-10-9-16(12-23)24-13-17/h4,6,8-10,13,20H,5,7,11,14H2,1-3H3,(H,25,26).
What are the key properties of 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile?
5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile has a molecular weight of 403.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 132766139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).