N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide

C23H24N8O — CID 70696864

IUPACN-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ccn(-c3cc(NCCN4CCCC4)n4ncc(C#N)c4n3)c2c1
InChIInChI=1S/C23H24N8O/c1-16(32)27-19-5-4-17-6-10-30(20(17)12-19)22-13-21(25-7-11-29-8-2-3-9-29)31-23(28-22)18(14-24)15-26-31/h4-6,10,12-13,15,25H,2-3,7-9,11H2,1H3,(H,27,32)
InChIKeyVROBSOYWNQARKV-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.01
Rot. Bonds6

About N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide

N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide (PubChem CID 70696864) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
PubChem CID70696864
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC NameN-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ccn(-c3cc(NCCN4CCCC4)n4ncc(C#N)c4n3)c2c1
InChIInChI=1S/C23H24N8O/c1-16(32)27-19-5-4-17-6-10-30(20(17)12-19)22-13-21(25-7-11-29-8-2-3-9-29)31-23(28-22)18(14-24)15-26-31/h4-6,10,12-13,15,25H,2-3,7-9,11H2,1H3,(H,27,32)
InChIKeyVROBSOYWNQARKV-UHFFFAOYSA-N
XLogP3.01
TPSA103.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
The IUPAC name of N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide (CID 70696864) is N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide.
What is the SMILES notation for N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
The canonical SMILES for N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide is CC(=O)Nc1ccc2ccn(-c3cc(NCCN4CCCC4)n4ncc(C#N)c4n3)c2c1.
What is the InChIKey of N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
The InChIKey is VROBSOYWNQARKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-16(32)27-19-5-4-17-6-10-30(20(17)12-19)22-13-21(25-7-11-29-8-2-3-9-29)31-23(28-22)18(14-24)15-26-31/h4-6,10,12-13,15,25H,2-3,7-9,11H2,1H3,(H,27,32).
What are the key properties of N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide is sourced from PubChem (CID 70696864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).