5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile

C17H14ClN7O — CID 123548667

IUPAC5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile
SMILESCN(c1cc(Nc2ncc(C#N)cc2Cl)nc2c(C=O)cnn12)C1CC1
InChIInChI=1S/C17H14ClN7O/c1-24(12-2-3-12)15-5-14(23-17-11(9-26)8-21-25(15)17)22-16-13(18)4-10(6-19)7-20-16/h4-5,7-9,12H,2-3H2,1H3,(H,20,22,23)
InChIKeyHSCJXTSGFJVEPW-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.80
Rot. Bonds5

About 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile

5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile (PubChem CID 123548667) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile
PubChem CID123548667
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC Name5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile
SMILESCN(c1cc(Nc2ncc(C#N)cc2Cl)nc2c(C=O)cnn12)C1CC1
InChIInChI=1S/C17H14ClN7O/c1-24(12-2-3-12)15-5-14(23-17-11(9-26)8-21-25(15)17)22-16-13(18)4-10(6-19)7-20-16/h4-5,7-9,12H,2-3H2,1H3,(H,20,22,23)
InChIKeyHSCJXTSGFJVEPW-UHFFFAOYSA-N
XLogP2.80
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile (CID 123548667) is 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile is CN(c1cc(Nc2ncc(C#N)cc2Cl)nc2c(C=O)cnn12)C1CC1.
What is the InChIKey of 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile?
The InChIKey is HSCJXTSGFJVEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c1-24(12-2-3-12)15-5-14(23-17-11(9-26)8-21-25(15)17)22-16-13(18)4-10(6-19)7-20-16/h4-5,7-9,12H,2-3H2,1H3,(H,20,22,23).
What are the key properties of 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile?
5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile has a molecular weight of 367.80 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[7-[cyclopropyl(methyl)amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 123548667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).