N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide

C23H23N5O3 — CID 46349686

IUPACN-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4cn(C)c5ccccc45)cc32)o1
InChIInChI=1S/C23H23N5O3/c1-15-7-8-16(31-15)12-24-21(29)14-27-22-11-19(25-28(22)10-9-23(27)30)18-13-26(2)20-6-4-3-5-17(18)20/h3-8,11,13H,9-10,12,14H2,1-2H3,(H,24,29)
InChIKeyPBOVCGXYIOVVFL-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.00
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide

N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 46349686) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID46349686
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4cn(C)c5ccccc45)cc32)o1
InChIInChI=1S/C23H23N5O3/c1-15-7-8-16(31-15)12-24-21(29)14-27-22-11-19(25-28(22)10-9-23(27)30)18-13-26(2)20-6-4-3-5-17(18)20/h3-8,11,13H,9-10,12,14H2,1-2H3,(H,24,29)
InChIKeyPBOVCGXYIOVVFL-UHFFFAOYSA-N
XLogP3.00
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide with MolForge

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Related Compounds

3-[3-(4-Furan-2-ylmethyl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 10620429
1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea
CID 10905184
1-[4-(Furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methylphenyl)urea
CID 10938608
(E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide (3)
CID 122362931
N-[(1R)-1-[4-(furan-2-ylmethyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 23648253
1-[11-Ethyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methylphenyl)urea
CID 10938276
1-[11-Butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methylphenyl)urea
CID 11732736
4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]-N-(2-aminophenyl)benzamide
CID 166633598
[8-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-yl-methanone
CID 9901296
(R)-2-amino-N-(1-(4-(furan-2-ylmethyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16203237
4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N-(3-imidazol-1-yl-propyl)-benzamide
CID 44403150
8-amino-2-(furan-2-yl)-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide
CID 44403165

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 46349686) is N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide is Cc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4cn(C)c5ccccc45)cc32)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is PBOVCGXYIOVVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15-7-8-16(31-15)12-24-21(29)14-27-22-11-19(25-28(22)10-9-23(27)30)18-13-26(2)20-6-4-3-5-17(18)20/h3-8,11,13H,9-10,12,14H2,1-2H3,(H,24,29).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 46349686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).