4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile

C16H15ClN6O — CID 24821083

IUPAC4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile
SMILESN#Cc1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)co1
InChIInChI=1S/C16H15ClN6O/c17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10/h4,7-9,20H,1-3,6,19H2
InChIKeyABTCNMZXQHAAGM-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.56
Rot. Bonds2

About 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile

4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile (PubChem CID 24821083) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile.

Molecular Properties

Compound Name4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile
PubChem CID24821083
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile
SMILESN#Cc1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)co1
InChIInChI=1S/C16H15ClN6O/c17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10/h4,7-9,20H,1-3,6,19H2
InChIKeyABTCNMZXQHAAGM-UHFFFAOYSA-N
XLogP2.56
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile?
The IUPAC name of 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile (CID 24821083) is 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile.
What is the SMILES notation for 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile?
The canonical SMILES for 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile is N#Cc1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)co1.
What is the InChIKey of 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile?
The InChIKey is ABTCNMZXQHAAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10/h4,7-9,20H,1-3,6,19H2.
What are the key properties of 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile?
4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile has a molecular weight of 342.79 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile is sourced from PubChem (CID 24821083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).