N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide

C21H17N9O — CID 70684313

IUPACN-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1
InChIInChI=1S/C21H17N9O/c1-13(31)24-16-4-3-14-5-8-29(17(14)9-16)19-10-20(25-18-6-7-28(2)27-18)30-21(26-19)15(11-22)12-23-30/h3-10,12H,1-2H3,(H,24,31)(H,25,27)
InChIKeyDDSXGXPBOKBKAJ-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.98
Rot. Bonds4

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

N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide (PubChem CID 70684313) has the molecular formula C21H17N9O and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
PubChem CID70684313
Molecular FormulaC21H17N9O
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC NameN-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1
InChIInChI=1S/C21H17N9O/c1-13(31)24-16-4-3-14-5-8-29(17(14)9-16)19-10-20(25-18-6-7-28(2)27-18)30-21(26-19)15(11-22)12-23-30/h3-10,12H,1-2H3,(H,24,31)(H,25,27)
InChIKeyDDSXGXPBOKBKAJ-UHFFFAOYSA-N
XLogP2.98
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
The IUPAC name of N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide (CID 70684313) is N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide.
What is the SMILES notation for N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
The canonical SMILES for N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide is CC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1.
What is the InChIKey of N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
The InChIKey is DDSXGXPBOKBKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O/c1-13(31)24-16-4-3-14-5-8-29(17(14)9-16)19-10-20(25-18-6-7-28(2)27-18)30-21(26-19)15(11-22)12-23-30/h3-10,12H,1-2H3,(H,24,31)(H,25,27).
What are the key properties of N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide has a molecular weight of 411.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-cyano-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide is sourced from PubChem (CID 70684313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).