4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide

C22H26N6O — CID 18981251

IUPAC4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide
SMILESCn1c(-c2ccc(C(N)=O)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C22H26N6O/c1-26-18(15-6-8-16(9-7-15)19(23)29)14-17-20(26)24-22(28-12-4-5-13-28)25-21(17)27-10-2-3-11-27/h6-9,14H,2-5,10-13H2,1H3,(H2,23,29)
InChIKeyIZQFJXLAGFLERO-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.93
Rot. Bonds4

About 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide

4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide (PubChem CID 18981251) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide
PubChem CID18981251
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide
SMILESCn1c(-c2ccc(C(N)=O)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C22H26N6O/c1-26-18(15-6-8-16(9-7-15)19(23)29)14-17-20(26)24-22(28-12-4-5-13-28)25-21(17)27-10-2-3-11-27/h6-9,14H,2-5,10-13H2,1H3,(H2,23,29)
InChIKeyIZQFJXLAGFLERO-UHFFFAOYSA-N
XLogP2.93
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide (CID 18981251) is 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide is Cn1c(-c2ccc(C(N)=O)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21.
What is the InChIKey of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide?
The InChIKey is IZQFJXLAGFLERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26-18(15-6-8-16(9-7-15)19(23)29)14-17-20(26)24-22(28-12-4-5-13-28)25-21(17)27-10-2-3-11-27/h6-9,14H,2-5,10-13H2,1H3,(H2,23,29).
What are the key properties of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide?
4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 18981251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).