1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea

C24H30N4O — CID 11589975

IUPAC1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea
SMILESCC(C)n1c2c(c3cc(NC(=O)N(C)CCc4ccncc4)ccc31)CCCC2
InChIInChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29)
InChIKeyYLNOMVNCZMWDST-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.20
Rot. Bonds5

About 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea

1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea (PubChem CID 11589975) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea
PubChem CID11589975
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea
SMILESCC(C)n1c2c(c3cc(NC(=O)N(C)CCc4ccncc4)ccc31)CCCC2
InChIInChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29)
InChIKeyYLNOMVNCZMWDST-UHFFFAOYSA-N
XLogP5.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea (CID 11589975) is 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea is CC(C)n1c2c(c3cc(NC(=O)N(C)CCc4ccncc4)ccc31)CCCC2.
What is the InChIKey of 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea?
The InChIKey is YLNOMVNCZMWDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29).
What are the key properties of 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea?
1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea has a molecular weight of 390.53 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 11589975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).