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

C24H22N6O — CID 97441976

IUPAC4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)NCc1cccnc1)n2-c1ncccn1
InChIInChI=1S/C24H22N6O/c1-16(2)29-19-9-4-3-8-18(19)22-20(29)13-21(30(22)24-26-11-6-12-27-24)23(31)28-15-17-7-5-10-25-14-17/h3-14,16H,15H2,1-2H3,(H,28,31)
InChIKeyMYSBTQGJDPVQOL-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.28
Rot. Bonds5

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

4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441976) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441976
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)NCc1cccnc1)n2-c1ncccn1
InChIInChI=1S/C24H22N6O/c1-16(2)29-19-9-4-3-8-18(19)22-20(29)13-21(30(22)24-26-11-6-12-27-24)23(31)28-15-17-7-5-10-25-14-17/h3-14,16H,15H2,1-2H3,(H,28,31)
InChIKeyMYSBTQGJDPVQOL-UHFFFAOYSA-N
XLogP4.28
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850403
N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407117
N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441870
1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide
CID 97441793
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441846
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 171701221
3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 100830411
1-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857406
N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97385191
1-oxo-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172882568

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of 4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97441976) is 4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1cccnc1)n2-c1ncccn1.
What is the InChIKey of 4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is MYSBTQGJDPVQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-16(2)29-19-9-4-3-8-18(19)22-20(29)13-21(30(22)24-26-11-6-12-27-24)23(31)28-15-17-7-5-10-25-14-17/h3-14,16H,15H2,1-2H3,(H,28,31).
What are the key properties of 4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).