N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C22H20N6 — CID 21067401

IUPACN-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H20N6/c1-2-16-13-26-28-21(11-19(27-22(16)28)17-6-4-3-5-7-17)23-12-15-8-9-18-20(10-15)25-14-24-18/h3-11,13-14,23H,2,12H2,1H3,(H,24,25)
InChIKeyGVSDPCAHIOQVLO-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.45
Rot. Bonds5

About N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21067401) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21067401
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H20N6/c1-2-16-13-26-28-21(11-19(27-22(16)28)17-6-4-3-5-7-17)23-12-15-8-9-18-20(10-15)25-14-24-18/h3-11,13-14,23H,2,12H2,1H3,(H,24,25)
InChIKeyGVSDPCAHIOQVLO-UHFFFAOYSA-N
XLogP4.45
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 21067401) is N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(-c3ccccc3)nc12.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GVSDPCAHIOQVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-2-16-13-26-28-21(11-19(27-22(16)28)17-6-4-3-5-7-17)23-12-15-8-9-18-20(10-15)25-14-24-18/h3-11,13-14,23H,2,12H2,1H3,(H,24,25).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 368.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21067401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).