6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide

C33H44N6O2 — CID 129138393

IUPAC6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
SMILESC/C1=C/C(C)=C(/CNC(=O)c2cc(-c3ccc(N4CCC(N(C)C)C4)nc3)cc3c2c(C)cn3C(C)C)COCN1
InChIInChI=1S/C33H44N6O2/c1-21(2)39-17-23(4)32-29(33(40)35-16-27-19-41-20-36-24(5)12-22(27)3)13-26(14-30(32)39)25-8-9-31(34-15-25)38-11-10-28(18-38)37(6)7/h8-9,12-15,17,21,28,36H,10-11,16,18-20H2,1-7H3,(H,35,40)/b24-12-,27-22-
InChIKeyRDVQYHQJRFWQQT-AMPKSZRLSA-N
MW556.76 g/mol
LogP5.26
Rot. Bonds7

About 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide

6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide (PubChem CID 129138393) has the molecular formula C33H44N6O2 and a molecular weight of 556.76 g/mol. Its IUPAC name is 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

Compound Name6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
PubChem CID129138393
Molecular FormulaC33H44N6O2
Molecular Weight556.76 g/mol
Exact Mass556.35
IUPAC Name6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
SMILESC/C1=C/C(C)=C(/CNC(=O)c2cc(-c3ccc(N4CCC(N(C)C)C4)nc3)cc3c2c(C)cn3C(C)C)COCN1
InChIInChI=1S/C33H44N6O2/c1-21(2)39-17-23(4)32-29(33(40)35-16-27-19-41-20-36-24(5)12-22(27)3)13-26(14-30(32)39)25-8-9-31(34-15-25)38-11-10-28(18-38)37(6)7/h8-9,12-15,17,21,28,36H,10-11,16,18-20H2,1-7H3,(H,35,40)/b24-12-,27-22-
InChIKeyRDVQYHQJRFWQQT-AMPKSZRLSA-N
XLogP5.26
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.76
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?
The IUPAC name of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide (CID 129138393) is 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide.
What is the SMILES notation for 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?
The canonical SMILES for 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide is C/C1=C/C(C)=C(/CNC(=O)c2cc(-c3ccc(N4CCC(N(C)C)C4)nc3)cc3c2c(C)cn3C(C)C)COCN1.
What is the InChIKey of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?
The InChIKey is RDVQYHQJRFWQQT-AMPKSZRLSA-N. The full InChI is InChI=1S/C33H44N6O2/c1-21(2)39-17-23(4)32-29(33(40)35-16-27-19-41-20-36-24(5)12-22(27)3)13-26(14-30(32)39)25-8-9-31(34-15-25)38-11-10-28(18-38)37(6)7/h8-9,12-15,17,21,28,36H,10-11,16,18-20H2,1-7H3,(H,35,40)/b24-12-,27-22-.
What are the key properties of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?
6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide has a molecular weight of 556.76 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-[[(4Z,6Z)-4,6-dimethyl-3,8-dihydro-2H-1,3-oxazocin-7-yl]methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 129138393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).