N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C24H20FN5O — CID 97407117

IUPACN-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)Nc1cccc(F)c1)n2-c1ncccn1
InChIInChI=1S/C24H20FN5O/c1-15(2)29-19-10-4-3-9-18(19)22-20(29)14-21(30(22)24-26-11-6-12-27-24)23(31)28-17-8-5-7-16(25)13-17/h3-15H,1-2H3,(H,28,31)
InChIKeyARGCBDJKGMNJIV-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.35
Rot. Bonds4

About N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97407117) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97407117
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC NameN-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)Nc1cccc(F)c1)n2-c1ncccn1
InChIInChI=1S/C24H20FN5O/c1-15(2)29-19-10-4-3-9-18(19)22-20(29)14-21(30(22)24-26-11-6-12-27-24)23(31)28-17-8-5-7-16(25)13-17/h3-15H,1-2H3,(H,28,31)
InChIKeyARGCBDJKGMNJIV-UHFFFAOYSA-N
XLogP5.35
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361332
N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97385191
N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441819
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide
CID 97441932
N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441859
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
N-(3-fluorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81407084
1-chloro-N-(3-fluorophenyl)isoquinoline-3-carboxamide
CID 43342757
N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84576179
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97407117) is N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is CC(C)n1c2ccccc2c2c1cc(C(=O)Nc1cccc(F)c1)n2-c1ncccn1.
What is the InChIKey of N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is ARGCBDJKGMNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-15(2)29-19-10-4-3-9-18(19)22-20(29)14-21(30(22)24-26-11-6-12-27-24)23(31)28-17-8-5-7-16(25)13-17/h3-15H,1-2H3,(H,28,31).
What are the key properties of N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97407117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).