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

C25H29N5O — CID 97361470

IUPACN-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1
InChIInChI=1S/C25H29N5O/c1-3-5-15-28(4-2)24(31)22-16-21-23(30(22)25-26-13-8-14-27-25)19-9-6-7-10-20(19)29(21)17-18-11-12-18/h6-10,13-14,16,18H,3-5,11-12,15,17H2,1-2H3
InChIKeySFIHIFHMHAXPGN-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.05
Rot. Bonds8

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

N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97361470) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97361470
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1
InChIInChI=1S/C25H29N5O/c1-3-5-15-28(4-2)24(31)22-16-21-23(30(22)25-26-13-8-14-27-25)19-9-6-7-10-20(19)29(21)17-18-11-12-18/h6-10,13-14,16,18H,3-5,11-12,15,17H2,1-2H3
InChIKeySFIHIFHMHAXPGN-UHFFFAOYSA-N
XLogP5.05
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361469
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
4-(cyclopropylmethyl)-1-methyl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407118
N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865251
4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97442031
N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide
CID 97442009
N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441846
N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441936
(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 131654461
4-(cyclopropylmethyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155851614
N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide
CID 18734576

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97361470) is N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1.
What is the InChIKey of N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is SFIHIFHMHAXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-3-5-15-28(4-2)24(31)22-16-21-23(30(22)25-26-13-8-14-27-25)19-9-6-7-10-20(19)29(21)17-18-11-12-18/h6-10,13-14,16,18H,3-5,11-12,15,17H2,1-2H3.
What are the key properties of N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97361470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).