4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C24H27N5O2 — CID 97361469

IUPAC4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1
InChIInChI=1S/C24H27N5O2/c1-2-31-14-6-13-25-23(30)21-15-20-22(29(21)24-26-11-5-12-27-24)18-7-3-4-8-19(18)28(20)16-17-9-10-17/h3-5,7-8,11-12,15,17H,2,6,9-10,13-14,16H2,1H3,(H,25,30)
InChIKeyHQDDVESXCLUGRT-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.94
Rot. Bonds9

About 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97361469) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97361469
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1
InChIInChI=1S/C24H27N5O2/c1-2-31-14-6-13-25-23(30)21-15-20-22(29(21)24-26-11-5-12-27-24)18-7-3-4-8-19(18)28(20)16-17-9-10-17/h3-5,7-8,11-12,15,17H,2,6,9-10,13-14,16H2,1H3,(H,25,30)
InChIKeyHQDDVESXCLUGRT-UHFFFAOYSA-N
XLogP3.94
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361473
4-(cyclopropylmethyl)-1-pyrimidin-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155857389
N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361470
4-(cyclopropylmethyl)-1-methyl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407118
4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97442031
4-(cyclopropylmethyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155851614
N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441846
4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441858
N-octyl-1-pyrimidin-2-ylindole-2-carboxamide
CID 142734736
N-butyl-4-methoxy-1-pyrimidin-2-ylindole-2-carboxamide
CID 122377454
3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 9406513
4-(cyclopropylmethyl)-1-methyl-N-pyridin-3-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155853691

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97361469) is 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is CCOCCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is HQDDVESXCLUGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-2-31-14-6-13-25-23(30)21-15-20-22(29(21)24-26-11-5-12-27-24)18-7-3-4-8-19(18)28(20)16-17-9-10-17/h3-5,7-8,11-12,15,17H,2,6,9-10,13-14,16H2,1H3,(H,25,30).
What are the key properties of 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97361469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).