N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C23H24N4O4 — CID 53030472

IUPACN-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCOc1cccc(-c2cc3n(C)c(C)c(CCC(=O)NCc4ccco4)c(=O)n3n2)c1
InChIInChI=1S/C23H24N4O4/c1-15-19(9-10-21(28)24-14-18-8-5-11-31-18)23(29)27-22(26(15)2)13-20(25-27)16-6-4-7-17(12-16)30-3/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,28)
InChIKeyBQTICGJEFLREGI-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.86
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 53030472) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID53030472
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCOc1cccc(-c2cc3n(C)c(C)c(CCC(=O)NCc4ccco4)c(=O)n3n2)c1
InChIInChI=1S/C23H24N4O4/c1-15-19(9-10-21(28)24-14-18-8-5-11-31-18)23(29)27-22(26(15)2)13-20(25-27)16-6-4-7-17(12-16)30-3/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,28)
InChIKeyBQTICGJEFLREGI-UHFFFAOYSA-N
XLogP2.86
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 53030472) is N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide is COc1cccc(-c2cc3n(C)c(C)c(CCC(=O)NCc4ccco4)c(=O)n3n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is BQTICGJEFLREGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-19(9-10-21(28)24-14-18-8-5-11-31-18)23(29)27-22(26(15)2)13-20(25-27)16-6-4-7-17(12-16)30-3/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,28).
What are the key properties of N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 420.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 53030472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).