(2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene

C33H24N4 — CID 102227600

IUPAC(2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene
SMILESc1ccc(-c2nnc(-c3ccccn3)c3c2[C@H]2C[C@@H]3[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@H]32)nc1
InChIInChI=1S/C33H24N4/c1-2-10-19-18(9-1)26-20-11-3-4-12-21(20)27(19)29-23-17-22(28(26)29)30-31(23)33(25-14-6-8-16-35-25)37-36-32(30)24-13-5-7-15-34-24/h1-16,22-23,26-29H,17H2/t22-,23+,26?,27?,28-,29+
InChIKeyHAXMWWJOPMSZAY-NFUYXPDRSA-N
MW476.58 g/mol
LogP6.71
Rot. Bonds2

About (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene

(2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene (PubChem CID 102227600) has the molecular formula C33H24N4 and a molecular weight of 476.58 g/mol. Its IUPAC name is (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene.

Molecular Properties

Compound Name(2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene
PubChem CID102227600
Molecular FormulaC33H24N4
Molecular Weight476.58 g/mol
Exact Mass476.20
IUPAC Name(2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene
SMILESc1ccc(-c2nnc(-c3ccccn3)c3c2[C@H]2C[C@@H]3[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@H]32)nc1
InChIInChI=1S/C33H24N4/c1-2-10-19-18(9-1)26-20-11-3-4-12-21(20)27(19)29-23-17-22(28(26)29)30-31(23)33(25-14-6-8-16-35-25)37-36-32(30)24-13-5-7-15-34-24/h1-16,22-23,26-29H,17H2/t22-,23+,26?,27?,28-,29+
InChIKeyHAXMWWJOPMSZAY-NFUYXPDRSA-N
XLogP6.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene?
The IUPAC name of (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene (CID 102227600) is (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene.
What is the SMILES notation for (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene?
The canonical SMILES for (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene is c1ccc(-c2nnc(-c3ccccn3)c3c2[C@H]2C[C@@H]3[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@H]32)nc1.
What is the InChIKey of (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene?
The InChIKey is HAXMWWJOPMSZAY-NFUYXPDRSA-N. The full InChI is InChI=1S/C33H24N4/c1-2-10-19-18(9-1)26-20-11-3-4-12-21(20)27(19)29-23-17-22(28(26)29)30-31(23)33(25-14-6-8-16-35-25)37-36-32(30)24-13-5-7-15-34-24/h1-16,22-23,26-29H,17H2/t22-,23+,26?,27?,28-,29+.
What are the key properties of (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene?
(2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene has a molecular weight of 476.58 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,10S,11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene is sourced from PubChem (CID 102227600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).