N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C21H17N5O2 — CID 97441859

IUPACN-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)NCc1ccco1)n2-c1ncccn1
InChIInChI=1S/C21H17N5O2/c1-25-16-8-3-2-7-15(16)19-17(25)12-18(26(19)21-22-9-5-10-23-21)20(27)24-13-14-6-4-11-28-14/h2-12H,13H2,1H3,(H,24,27)
InChIKeyAUBFXDWQIDFESJ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.44
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441859) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441859
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)NCc1ccco1)n2-c1ncccn1
InChIInChI=1S/C21H17N5O2/c1-25-16-8-3-2-7-15(16)19-17(25)12-18(26(19)21-22-9-5-10-23-21)20(27)24-13-14-6-4-11-28-14/h2-12H,13H2,1H3,(H,24,27)
InChIKeyAUBFXDWQIDFESJ-UHFFFAOYSA-N
XLogP3.44
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441858
N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97385191
N-(furan-2-ylmethyl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 3243455
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide
CID 110850455
5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide
CID 175187274
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55794278
1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
CID 110497370
2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
CID 100788712
5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide
CID 82571771
3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19490099
N-(furan-2-ylmethyl)-4-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791099

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97441859) is N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is Cn1c2ccccc2c2c1cc(C(=O)NCc1ccco1)n2-c1ncccn1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is AUBFXDWQIDFESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-25-16-8-3-2-7-15(16)19-17(25)12-18(26(19)21-22-9-5-10-23-21)20(27)24-13-14-6-4-11-28-14/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).