N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H30N8O2 — CID 129298332

IUPACN-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(CN2CCN(c3cc4c(cc3NC(=O)c3cnn5cccnc35)CC(C)(C)O4)CC2)[nH]1
InChIInChI=1S/C26H30N8O2/c1-17-28-14-19(30-17)16-32-7-9-33(10-8-32)22-12-23-18(13-26(2,3)36-23)11-21(22)31-25(35)20-15-29-34-6-4-5-27-24(20)34/h4-6,11-12,14-15H,7-10,13,16H2,1-3H3,(H,28,30)(H,31,35)
InChIKeyVBUJOMDTYCSAFV-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.05
Rot. Bonds5

About N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129298332) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129298332
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC NameN-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(CN2CCN(c3cc4c(cc3NC(=O)c3cnn5cccnc35)CC(C)(C)O4)CC2)[nH]1
InChIInChI=1S/C26H30N8O2/c1-17-28-14-19(30-17)16-32-7-9-33(10-8-32)22-12-23-18(13-26(2,3)36-23)11-21(22)31-25(35)20-15-29-34-6-4-5-27-24(20)34/h4-6,11-12,14-15H,7-10,13,16H2,1-3H3,(H,28,30)(H,31,35)
InChIKeyVBUJOMDTYCSAFV-UHFFFAOYSA-N
XLogP3.05
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129298332) is N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc(CN2CCN(c3cc4c(cc3NC(=O)c3cnn5cccnc35)CC(C)(C)O4)CC2)[nH]1.
What is the InChIKey of N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VBUJOMDTYCSAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-17-28-14-19(30-17)16-32-7-9-33(10-8-32)22-12-23-18(13-26(2,3)36-23)11-21(22)31-25(35)20-15-29-34-6-4-5-27-24(20)34/h4-6,11-12,14-15H,7-10,13,16H2,1-3H3,(H,28,30)(H,31,35).
What are the key properties of N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-6-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129298332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).