8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine

C24H29ClN8O — CID 156783087

IUPAC8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine
SMILESCC1(C)CN(CCN2CCOCC2)Cc2c(-c3[nH]c4ncccc4c3Cl)c3c(N)ncnc3n21
InChIInChI=1S/C24H29ClN8O/c1-24(2)13-32(7-6-31-8-10-34-11-9-31)12-16-17(18-21(26)28-14-29-23(18)33(16)24)20-19(25)15-4-3-5-27-22(15)30-20/h3-5,14H,6-13H2,1-2H3,(H,27,30)(H2,26,28,29)
InChIKeyULGKQLUPCBLHNV-UHFFFAOYSA-N
MW481.00 g/mol
LogP3.09
Rot. Bonds4

About 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine

8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine (PubChem CID 156783087) has the molecular formula C24H29ClN8O and a molecular weight of 481.00 g/mol. Its IUPAC name is 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine.

Molecular Properties

Compound Name8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine
PubChem CID156783087
Molecular FormulaC24H29ClN8O
Molecular Weight481.00 g/mol
Exact Mass480.22
IUPAC Name8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine
SMILESCC1(C)CN(CCN2CCOCC2)Cc2c(-c3[nH]c4ncccc4c3Cl)c3c(N)ncnc3n21
InChIInChI=1S/C24H29ClN8O/c1-24(2)13-32(7-6-31-8-10-34-11-9-31)12-16-17(18-21(26)28-14-29-23(18)33(16)24)20-19(25)15-4-3-5-27-22(15)30-20/h3-5,14H,6-13H2,1-2H3,(H,27,30)(H2,26,28,29)
InChIKeyULGKQLUPCBLHNV-UHFFFAOYSA-N
XLogP3.09
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine?
The IUPAC name of 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine (CID 156783087) is 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine.
What is the SMILES notation for 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine?
The canonical SMILES for 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine is CC1(C)CN(CCN2CCOCC2)Cc2c(-c3[nH]c4ncccc4c3Cl)c3c(N)ncnc3n21.
What is the InChIKey of 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine?
The InChIKey is ULGKQLUPCBLHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN8O/c1-24(2)13-32(7-6-31-8-10-34-11-9-31)12-16-17(18-21(26)28-14-29-23(18)33(16)24)20-19(25)15-4-3-5-27-22(15)30-20/h3-5,14H,6-13H2,1-2H3,(H,27,30)(H2,26,28,29).
What are the key properties of 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine?
8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine has a molecular weight of 481.00 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-11-(2-morpholin-4-ylethyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-6-amine is sourced from PubChem (CID 156783087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).