4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide

C21H26N4O2 — CID 97442031

IUPAC4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C(=O)N(C)C
InChIInChI=1S/C21H26N4O2/c1-4-11-22-20(26)18-12-17-19(25(18)21(27)23(2)3)15-7-5-6-8-16(15)24(17)13-14-9-10-14/h5-8,12,14H,4,9-11,13H2,1-3H3,(H,22,26)
InChIKeyKLDSOMRUXAISTI-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.68
Rot. Bonds5

About 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide

4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide (PubChem CID 97442031) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
PubChem CID97442031
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C(=O)N(C)C
InChIInChI=1S/C21H26N4O2/c1-4-11-22-20(26)18-12-17-19(25(18)21(27)23(2)3)15-7-5-6-8-16(15)24(17)13-14-9-10-14/h5-8,12,14H,4,9-11,13H2,1-3H3,(H,22,26)
InChIKeyKLDSOMRUXAISTI-UHFFFAOYSA-N
XLogP3.68
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide (CID 97442031) is 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide is CCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C(=O)N(C)C.
What is the InChIKey of 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The InChIKey is KLDSOMRUXAISTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-11-22-20(26)18-12-17-19(25(18)21(27)23(2)3)15-7-5-6-8-16(15)24(17)13-14-9-10-14/h5-8,12,14H,4,9-11,13H2,1-3H3,(H,22,26).
What are the key properties of 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide is sourced from PubChem (CID 97442031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).