3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C20H21N5O3 — CID 91949873

IUPAC3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc2cnn(CCCNC(=O)c3c(C)oc4ncn(C)c(=O)c34)c2c1
InChIInChI=1S/C20H21N5O3/c1-12-5-6-14-10-23-25(15(14)9-12)8-4-7-21-18(26)16-13(2)28-19-17(16)20(27)24(3)11-22-19/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,26)
InChIKeyPKFZTKHMYLOYCE-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.31
Rot. Bonds5

About 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949873) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949873
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc2cnn(CCCNC(=O)c3c(C)oc4ncn(C)c(=O)c34)c2c1
InChIInChI=1S/C20H21N5O3/c1-12-5-6-14-10-23-25(15(14)9-12)8-4-7-21-18(26)16-13(2)28-19-17(16)20(27)24(3)11-22-19/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,26)
InChIKeyPKFZTKHMYLOYCE-UHFFFAOYSA-N
XLogP2.31
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91949873) is 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1ccc2cnn(CCCNC(=O)c3c(C)oc4ncn(C)c(=O)c34)c2c1.
What is the InChIKey of 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PKFZTKHMYLOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-5-6-14-10-23-25(15(14)9-12)8-4-7-21-18(26)16-13(2)28-19-17(16)20(27)24(3)11-22-19/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,26).
What are the key properties of 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).