(5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide

C27H35N7O2 — CID 155700526

IUPAC(5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide
SMILESCC1C/C=C\C2=C(/C=C\1C(=O)NC1C=CC=C(c3nnc4n3[C@H](C)CC4)N1)CN(C(=O)N(C)C)CC2
InChIInChI=1S/C27H35N7O2/c1-17-7-5-8-19-13-14-33(27(36)32(3)4)16-20(19)15-21(17)26(35)29-23-10-6-9-22(28-23)25-31-30-24-12-11-18(2)34(24)25/h5-6,8-10,15,17-18,23,28H,7,11-14,16H2,1-4H3,(H,29,35)/b8-5-,21-15+/t17?,18-,23?/m1/s1
InChIKeyKZPSCUIXLKJEOH-LSCQUNCXSA-N
MW489.62 g/mol
LogP2.93
Rot. Bonds3

About (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide

(5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide (PubChem CID 155700526) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide.

Molecular Properties

Compound Name(5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide
PubChem CID155700526
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name(5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide
SMILESCC1C/C=C\C2=C(/C=C\1C(=O)NC1C=CC=C(c3nnc4n3[C@H](C)CC4)N1)CN(C(=O)N(C)C)CC2
InChIInChI=1S/C27H35N7O2/c1-17-7-5-8-19-13-14-33(27(36)32(3)4)16-20(19)15-21(17)26(35)29-23-10-6-9-22(28-23)25-31-30-24-12-11-18(2)34(24)25/h5-6,8-10,15,17-18,23,28H,7,11-14,16H2,1-4H3,(H,29,35)/b8-5-,21-15+/t17?,18-,23?/m1/s1
InChIKeyKZPSCUIXLKJEOH-LSCQUNCXSA-N
XLogP2.93
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide?
The IUPAC name of (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide (CID 155700526) is (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide.
What is the SMILES notation for (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide?
The canonical SMILES for (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide is CC1C/C=C\C2=C(/C=C\1C(=O)NC1C=CC=C(c3nnc4n3[C@H](C)CC4)N1)CN(C(=O)N(C)C)CC2.
What is the InChIKey of (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide?
The InChIKey is KZPSCUIXLKJEOH-LSCQUNCXSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-17-7-5-8-19-13-14-33(27(36)32(3)4)16-20(19)15-21(17)26(35)29-23-10-6-9-22(28-23)25-31-30-24-12-11-18(2)34(24)25/h5-6,8-10,15,17-18,23,28H,7,11-14,16H2,1-4H3,(H,29,35)/b8-5-,21-15+/t17?,18-,23?/m1/s1.
What are the key properties of (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide?
(5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide has a molecular weight of 489.62 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9E)-2-N,2-N,8-trimethyl-9-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-1,2-dihydropyridin-2-yl]-3,4,7,8-tetrahydro-1H-cycloocta[c]pyridine-2,9-dicarboxamide is sourced from PubChem (CID 155700526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).