5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole

C21H21N3O — CID 141177271

IUPAC5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(C2=CCN(C3CC3)C=C2)c2c1[nH]c1ncc(C)cc12
InChIInChI=1S/C21H21N3O/c1-13-11-17-19-16(14-7-9-24(10-8-14)15-3-4-15)5-6-18(25-2)20(19)23-21(17)22-12-13/h5-9,11-12,15H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyWZMGNSRBMNSGKS-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.41
Rot. Bonds3

About 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole

5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole (PubChem CID 141177271) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole
PubChem CID141177271
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(C2=CCN(C3CC3)C=C2)c2c1[nH]c1ncc(C)cc12
InChIInChI=1S/C21H21N3O/c1-13-11-17-19-16(14-7-9-24(10-8-14)15-3-4-15)5-6-18(25-2)20(19)23-21(17)22-12-13/h5-9,11-12,15H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyWZMGNSRBMNSGKS-UHFFFAOYSA-N
XLogP4.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole (CID 141177271) is 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole is COc1ccc(C2=CCN(C3CC3)C=C2)c2c1[nH]c1ncc(C)cc12.
What is the InChIKey of 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is WZMGNSRBMNSGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-13-11-17-19-16(14-7-9-24(10-8-14)15-3-4-15)5-6-18(25-2)20(19)23-21(17)22-12-13/h5-9,11-12,15H,3-4,10H2,1-2H3,(H,22,23).
What are the key properties of 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole?
5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole has a molecular weight of 331.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyl-2H-pyridin-4-yl)-8-methoxy-3-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 141177271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).