4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide

C23H26N10O — CID 139683395

IUPAC4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide
SMILESCn1c(-c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C23H26N10O/c1-31-18(15-6-8-16(9-7-15)21(34)26-22-27-29-30-28-22)14-17-19(31)24-23(33-12-4-5-13-33)25-20(17)32-10-2-3-11-32/h6-9,14H,2-5,10-13H2,1H3,(H2,26,27,28,29,30,34)
InChIKeyFOGWIQZVAGUFNT-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.60
Rot. Bonds5

About 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide

4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 139683395) has the molecular formula C23H26N10O and a molecular weight of 458.53 g/mol. Its IUPAC name is 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide
PubChem CID139683395
Molecular FormulaC23H26N10O
Molecular Weight458.53 g/mol
Exact Mass458.23
IUPAC Name4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide
SMILESCn1c(-c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C23H26N10O/c1-31-18(15-6-8-16(9-7-15)21(34)26-22-27-29-30-28-22)14-17-19(31)24-23(33-12-4-5-13-33)25-20(17)32-10-2-3-11-32/h6-9,14H,2-5,10-13H2,1H3,(H2,26,27,28,29,30,34)
InChIKeyFOGWIQZVAGUFNT-UHFFFAOYSA-N
XLogP2.60
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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)-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide (CID 139683395) is 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide is Cn1c(-c2ccc(C(=O)Nc3nn[nH]n3)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)-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is FOGWIQZVAGUFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O/c1-31-18(15-6-8-16(9-7-15)21(34)26-22-27-29-30-28-22)14-17-19(31)24-23(33-12-4-5-13-33)25-20(17)32-10-2-3-11-32/h6-9,14H,2-5,10-13H2,1H3,(H2,26,27,28,29,30,34).
What are the key properties of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide?
4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 458.53 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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)-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 139683395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).