23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one

C26H24N4O — CID 19917804

IUPAC23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
SMILESO=C1NCc2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CCN1CCCC1
InChIInChI=1S/C26H24N4O/c31-26-23-18(15-27-26)21-17-8-2-4-10-20(17)30(14-13-29-11-5-6-12-29)25(21)24-22(23)16-7-1-3-9-19(16)28-24/h1-4,7-10,28H,5-6,11-15H2,(H,27,31)
InChIKeySVWOIAAOIKJBOC-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.77
Rot. Bonds3

About 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one

23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one (PubChem CID 19917804) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one.

Molecular Properties

Compound Name23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
PubChem CID19917804
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
SMILESO=C1NCc2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CCN1CCCC1
InChIInChI=1S/C26H24N4O/c31-26-23-18(15-27-26)21-17-8-2-4-10-20(17)30(14-13-29-11-5-6-12-29)25(21)24-22(23)16-7-1-3-9-19(16)28-24/h1-4,7-10,28H,5-6,11-15H2,(H,27,31)
InChIKeySVWOIAAOIKJBOC-UHFFFAOYSA-N
XLogP4.77
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one?
The IUPAC name of 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one (CID 19917804) is 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one.
What is the SMILES notation for 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one?
The canonical SMILES for 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one is O=C1NCc2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CCN1CCCC1.
What is the InChIKey of 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one?
The InChIKey is SVWOIAAOIKJBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-26-23-18(15-27-26)21-17-8-2-4-10-20(17)30(14-13-29-11-5-6-12-29)25(21)24-22(23)16-7-1-3-9-19(16)28-24/h1-4,7-10,28H,5-6,11-15H2,(H,27,31).
What are the key properties of 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one?
23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one has a molecular weight of 408.51 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(2-pyrrolidin-1-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one is sourced from PubChem (CID 19917804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).